SCHEMBL608745

SCHEMBL608745

O=C(O)CCc1cc[nH]c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.69
KEAP1 Q14145 1/20 0.54
FFAR1 O14842 10/20 0.50
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1278387 0.88 CAPN1 (0.59) CAPN1KEAP1FFAR1ALDH1A1KMT2A
SCHEMBL4511019 0.86 CAPN1 (0.58) CAPN1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27844841 0.82 CAPN1 (1.00) CAPN1KEAP1ALDH1A1KMT2A
SCHEMBL311759 0.78
SCHEMBL6296793 0.77 CAPN1 (0.61) CAPN1KEAP1ALDH1A1KMT2A
SCHEMBL18381392 0.77 SMN1; SMN2 (0.56) CAPN1ALDH1A1KMT2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL6548499 0.77 CAPN1 (0.50) CAPN1FFAR1ALDH1A1KMT2ACA2
SCHEMBL9775301 0.76 CAPN1 (0.59) CAPN1ALDH1A1KMT2ASLC6A3SMN1; SMN2
Phenyl Propionic Acid SCHEMBL27473482 0.75 KEAP1 (0.79) KEAP1FFAR1ALDH1A1FFAR4HDAC3
SCHEMBL69746 0.74 FFAR1 (0.81) KEAP1FFAR1FFAR4CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 235 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100500213-C Anti-tumour medicinal composition containing blood vessel inhibitor SHANDONG LANJIN BIOLOG ENGINEE (CN) 2009-06-17 CN claimed
CN-101385698-A Anti-cancer sustained-released implantation agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2009-03-18 CN claimed
CN-101081208-A Slow-release injection containing tyrosine kinase restraining agent and platinum compound JINAN KANGQUAN PHARMACEUTICAL (CN) 2007-12-05 CN claimed
CN-101019831-A Slow releasing anticancer prepn containing vasoinhibitor JINAN SHUAIHUA MEDICINE SCI TE (CN) 2007-08-22 CN claimed
CN-101020057-A Composition for treating solid tumor JINAN SHUAIHUA MEDICINE SCI TE (CN) 2007-08-22 CN claimed
CN-101019829-A Slow releasing anticancer prepn containing vasoinhibitor JINAN SHUAIHUA MEDICINE SCI TE (CN) 2007-08-22 CN claimed
CN-1883452-A Anticancer sustained-release agent carrying vascular inhibitor and synergist thereof SHANDONG LANJIN BIOENGINEERING (CN) 2006-12-27 CN claimed
CN-1883451-A Anticancer sustained-release injection containing blood vessel inhibitor and synergist thereof SHANDONG LANJIN BIOENGINEERING (CN) 2006-12-27 CN claimed
CN-1868452-A Anticancer slow-release injection contg. platinum compounds LANJIN BIOENGINEERING CO LTD S (CN) 2006-11-29 CN claimed
CN-1857201-A Slow released anticancer injection with both blood vessel inhibitor and its synergist SHUAIHUA MEDICINE SCI TECH CO (CN) 2006-11-08 CN claimed
CN-1824318-A Anticancer sustained-release implant JINAN KANGQUAN MEDICINE SCI & (CN) 2006-08-30 CN claimed
CN-1736486-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-22 CN claimed
CN-1733304-A Anticancer medicine composition containing blood vessel inhibitor KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733305-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733303-A Anticancer implantation agent containing blood vessel inhibitor KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733302-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733300-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733306-A Anticancer implantation agent containing blood vessel inhibitor and guanine similarities KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1733301-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1686546-A Anti entity tumour medicinal composition containing blood vessel inhibitor SHANDONG LANJIN BIOLOG ENGINEE (CN) 2005-10-26 CN claimed