SCHEMBL8005765

SCHEMBL8005765

CC(C(=O)O)c1c[nH]c2c1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 14/20 0.35
PTGS2 P35354 13/20 0.35
KMT2A Q03164 3/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6691774 0.98 TSHR (0.36) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL19006033 0.78 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL22289913 0.69 GFER (0.46) KMT2AHCAR2TSHRGFERKDM4E
SCHEMBL20842318 0.67 KMT2A (0.48) PTGS1PTGS2KMT2ATSHRKDM4E
SCHEMBL299539 0.67 BCL2L1 (0.46) PTGS2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2114253 0.66 KDM4E (0.45) KMT2AHCAR2TSHRGFERKDM4E
SCHEMBL7817311 0.65 ALOX15 (0.33) SMN1; SMN2
SCHEMBL1173794 0.65 NOTUM (0.45) PTGS1PTGS2TSHR
SCHEMBL4789593 0.65 HSD17B10 (0.47) KMT2AHCAR2TSHRGFERKDM4E
SCHEMBL19140344 0.64 USP2 (0.45) KMT2AHTTKDM4EALDH1A1

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-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed