SCHEMBL9652013

SCHEMBL9652013

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 3/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
SRD5A2 P31213 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRB2 P47870 4/20 0.46
POLB P06746 2/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL9653643 0.87 ALDH1A1 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9650715 0.87 TSHR (0.50) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9650709 0.87 TSHR (0.50) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9653648 0.87 ALDH1A1 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9653233 0.83 SMN1; SMN2 (0.46) TSHRCASP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9650657 0.82 SMN1; SMN2 (0.45) TSHRCASP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9653315 0.81 SMN1; SMN2 (0.55) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3133251 0.79 SMN1; SMN2 (0.61) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL322161 0.78 TSHR (0.65) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29384783 0.78 TSHR (0.65) TSHRCASP1SMN1; SMN2ALDH1A1MEN1

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