SCHEMBL29098167

SCHEMBL29098167

C[C](CCc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.58
MMP12 P39900 3/20 0.51
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NAAA Q02083 1/20 0.46
KCNH2 Q12809 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC2 Q92769 2/20 0.44
CES1 P23141 2/20 0.43
HDAC1 Q13547 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL1305408 0.88 ALDH1A1 (0.59) FFAR1ALDH1A1MAPTSMN1; SMN2HDAC2
SCHEMBL8260837 0.78 ALDH1A1 (0.77) FFAR1MMP12FFAR4ALDH1A1NAAA
SCHEMBL5808516 0.77 FFAR1 (0.58) FFAR1MMP12FFAR4ALDH1A1NAAA
SCHEMBL657122 0.77 FFAR1 (0.69) FFAR1MMP12FFAR4NAAAMAPT
SCHEMBL3941591 0.77 PDPK1 (0.57) FFAR1MAPTSMN1; SMN2HDAC1LMNA
SCHEMBL3298136 0.76 CES1 (0.46) ALDH1A1MAPTSMN1; SMN2CES1LMNA
SCHEMBL5012485 0.76 TDP1 (0.60) ALDH1A1MAPTSMN1; SMN2HDAC2HDAC1
SCHEMBL11479198 0.76 FFAR1 (0.56) FFAR1MMP12FFAR4ALDH1A1NAAA
SCHEMBL5010171 0.74 PTGER4 (0.49) FFAR1FFAR4ALDH1A1HDAC2HDAC1
SCHEMBL9753129 0.74 THRA (0.56) ALDH1A1KCNH2MAPTLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110650954-B anticancer compounds 法马马有限公司 2023-11-03 CN disclosed