SCHEMBL23748780

SCHEMBL23748780

CC(C)c1ccc(C2(O)CN(C(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2B Q13224 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
USP5 P45974 1/20 0.37
CCR1 P32246 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL25411556 0.84 CCR1 (0.37) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL21826368 0.79 HTT (0.52) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL1669519 0.78 GRIN2B (0.44) ALDH1A1MEN1LMNAKMT2AGRIN2B
SCHEMBL15156029 0.78 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AGRIN2B
SCHEMBL15156081 0.77 OPRM1 (0.43) MEN1LMNAKMT2ACYP2D6KDM4E
SCHEMBL23112288 0.77 GRIN2B (0.46) ALDH1A1SMN1; SMN2GRIN2BCCR1OPRM1
SCHEMBL17080571 0.77 TPMT (0.38) MEN1KMT2AGRIN2BCCR1OPRM1
SCHEMBL16874757 0.77 OPRM1 (0.48) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL23748773 0.75 OPRM1 (0.37) ALDH1A1GRIN2BCYP2D6OPRM1OPRD1
SCHEMBL12940192 0.74 OPRM1 (0.44) GRIN2BCYP2D6OPRM1OPRD1OPRK1

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-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed