SCHEMBL8029592

SCHEMBL8029592

CCc1c(C(=O)O)ccc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
MCL1 Q07820 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 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
SCHEMBL8374984 0.86 SELL (0.50) ALDH1A1KDM4EHPGDHSD17B10HMGB1
SCHEMBL2581660 0.85 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL28733643 0.84 GABRP (0.42) ALDH1A1KDM4EHPGDHSD17B10HMGB1
SCHEMBL39790 0.82 SELL (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7072975 0.82 GABRP (0.41) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL1965987 0.82 GABRP (0.41) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL294836 0.81 CYP1A2 (0.50) ALDH1A1KDM4EHPGDKMT2AHMGB1
SCHEMBL27317405 0.81 GABRP (0.40) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL23925913 0.80 TSHR (0.52) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL10983387 0.79 GABRP (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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-0984009-A1 Benzodioxincarboxylic acid hydrazides as insecticides ROHM AND HAAS COMPANY (US) 2000-03-08 EP disclosed