SCHEMBL7933549

SCHEMBL7933549

COc1c(C)cc(CCC(=O)OCCO)cc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALOX5 P09917 1/20 0.40
KMT2A Q03164 5/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ABCB1 P08183 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8430286 0.90 L3MBTL1 (0.45) ALDH1A1ALOX5KMT2AMEN1L3MBTL1
SCHEMBL7941368 0.88 ALDH1A1 (0.47) ALDH1A1ALOX5KMT2ACYP4F2CYP4A11
SCHEMBL7941423 0.87 ALDH1A1 (0.46) ALDH1A1ALOX5KMT2AABCB1SIGMAR1
SCHEMBL7943145 0.86 ALOX5 (0.41) ALDH1A1ALOX5KMT2ACYP4F2CYP4A11
SCHEMBL7795938 0.84 THRA (0.51) ALDH1A1KMT2AABCB1SIGMAR1THRA
SCHEMBL6568807 0.84 ALDH1A1 (0.38) ALDH1A1KMT2ASIGMAR1MEN1
SCHEMBL6567794 0.82 TNKS2 (0.42) ALDH1A1
SCHEMBL7941422 0.81 MEN1 (0.50) ALDH1A1ALOX5KMT2ACYP4F2CYP4A11
SCHEMBL7942538 0.80 THRB (0.39) ALDH1A1KMT2ATHRBMEN1
SCHEMBL7944855 0.78 ALOX5 (0.40) ALDH1A1ALOX5KMT2ACYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed