SCHEMBL10695731

SCHEMBL10695731

CSc1ccc(CC(=O)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PLK1 P53350 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL46640 0.84 CA2 (0.56) MMP12MMP13SIGMAR1SLC6A4MEN1
SCHEMBL28410098 0.83 MAPT (0.51) SIGMAR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9780280 0.82 CYP4F2 (0.46) SIGMAR1SLC6A4KDM4ESMN1; SMN2NPC1
SCHEMBL6167644 0.81 SLC6A4 (0.46) MMP12MMP13SLC6A4MEN1KMT2A
SCHEMBL19337318 0.81 SLC6A4 (0.42) MMP12MMP13SIGMAR1SLC6A4MEN1
SCHEMBL28228920 0.80 MMP12 (0.49) MMP12MMP13MEN1KMT2AKDM4E
SCHEMBL7114566 0.79 L3MBTL1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6068538 0.78 ALDH1A1 (0.59) SLC6A4MEN1KMT2AKDM4EATM
SCHEMBL4869495 0.77 HAO1 (0.53) MMP12MMP13SIGMAR1SLC6A4MEN1
Adipic Acid SCHEMBL27542113 0.76 ALDH1A1 (0.49) MMP12MMP13SIGMAR1SLC6A4MEN1

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
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed