SCHEMBL9513745

SCHEMBL9513745

C=C(C=O)Cc1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
CNR2 P34972 1/20 0.41
IDO1 P14902 2/20 0.40
NLRP3 Q96P20 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL9515104 0.79 CTBP2 (0.43) IDO1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9513630 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL9513564 0.79 PIK3CA (0.44) CNR2RAB9AMEN1KMT2AMAPK1
SCHEMBL24244099 0.76 IDO1 (0.45) TYRCNR2IDO1NLRP3HDAC3
SCHEMBL9636849 0.76 IDO1 (0.45) TYRCNR2IDO1NLRP3HDAC3
SCHEMBL11503253 0.76 IDO1 (0.45) TYRCNR2IDO1NLRP3HDAC3
SCHEMBL1593360 0.75 SMN1; SMN2 (0.47) IDO1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL9516170 0.75 TGM2 (0.42) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL26033119 0.75 IDO1 (0.48) CNR2IDO1NLRP3HDAC3HDAC4
SCHEMBL9817167 0.74 HTT (0.53) IDO1SMN1; SMN2KDM4ENPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed