SCHEMBL31445554

SCHEMBL31445554

COc1cccc(C#N)c1[C@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3699913 0.80 IMPDH2 (0.49) KDM4EALDH1A1CA1CA2SMN1; SMN2
SCHEMBL27475655 0.79 POLB (0.45) KDM4EALDH1A1TSHRCA1CA2
SCHEMBL31445485 0.78 RIPK1 (0.38) KMT2ATSHRSMN1; SMN2MAPK1AKR1C3
SCHEMBL16267366 0.78 CXCL8 (0.42) KDM4EALDH1A1SMN1; SMN2MAPK1AKR1C3
SCHEMBL20534709 0.76 KMT2A (0.47) KMT2AKDM4ETSHRCA12CA1
SCHEMBL31446707 0.76 AKR1C3 (0.52) KMT2AKDM4ECA12CA1CA2
SCHEMBL31445111 0.76 KMT2A (0.47) KMT2AKDM4ETSHRCA12CA1
SCHEMBL30066044 0.76 POLB (0.45) KDM4EALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL13172191 0.73 AKR1C3 (0.52) ALDH1A1TSHRAKR1C3AKR1C2PTGS1
SCHEMBL22980117 0.71 CA12 (0.43) KMT2AKDM4EALDH1A1TSHRCA12

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed