SCHEMBL11642190

SCHEMBL11642190

CCOC(=O)C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.44
MCL1 Q07820 2/20 0.44
IDO1 P14902 1/20 0.42
LSS P48449 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PLG P00747 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL11642266 0.87 PPARA (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL11640813 0.84 KMT2A (0.43) BCL2L1MCL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11640145 0.82 PPARG (0.43) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11563578 0.80 SLC6A3 (0.44) BCL2L1MCL1IDO1ALDH1A1SMN1; SMN2
SCHEMBL11639892 0.80 CYP1A2 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11640419 0.79 PPARG (0.49) SMN1; SMN2CYP1A2TSHRPOLBCYP3A4
SCHEMBL11637342 0.78 KMT2A (0.43) MCL1ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL11564169 0.76 PPARA (0.46) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL11568596 0.75 F9 (0.43) ALDH1A1SMN1; SMN2MAPTF10LMNA
SCHEMBL5206358 0.74 LMNA (0.51) ALDH1A1SMN1; SMN2MAPTTSHRLMNA

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
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed