SCHEMBL9650709

SCHEMBL9650709

CC(=O)/C(C(=O)C(C)(C)C)=C(/O)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
SRD5A2 P31213 1/20 0.42
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRB2 P47870 3/20 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
SCHEMBL9650715 1.00 TSHR (0.50) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9652013 0.87 TSHR (0.60) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9653207 0.81 HPGD (0.45) SMN1; SMN2ALDH1A1MAPK1POLBFLT1
SCHEMBL9653202 0.81 HPGD (0.45) SMN1; SMN2ALDH1A1MAPK1POLBFLT1
SCHEMBL9653643 0.79 ALDH1A1 (0.52) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9653648 0.79 ALDH1A1 (0.52) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9653290 0.77 GABRA1 (0.55) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9653284 0.77 GABRA1 (0.55) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9650680 0.75 GABRA1 (0.53) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL9653233 0.75 SMN1; SMN2 (0.46) TSHRCASP1SMN1; SMN2KMT2AKDM4E

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-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed