SCHEMBL11278600

SCHEMBL11278600

C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL65512 0.87 KDM4E (0.58) HSD17B10TSHRKDM4EALDH1A1NPC1
SCHEMBL29385742 0.87 KDM4E (0.58) HSD17B10TSHRKDM4EALDH1A1NPC1
SCHEMBL6934866 0.87 KDM4E (0.58) HSD17B10TSHRKDM4EALDH1A1NPC1
SCHEMBL29413992 0.85 HSD17B10 (0.61) HSD17B10TSHRSMN1; SMN2CYP3A4EPHX2
SCHEMBL31734128 0.85 HSD17B10 (0.61) HSD17B10TSHRSMN1; SMN2CYP3A4EPHX2
SCHEMBL4747117 0.85 HSD17B10 (0.61) HSD17B10TSHRSMN1; SMN2CYP3A4EPHX2
SCHEMBL11278629 0.79 KDM4E (0.45) HSD17B10TSHRKDM4EALDH1A1THRB
SCHEMBL132197 0.78 GAA (0.62) KDM4ENPC1RAB9ACYP3A4EPHX2
SCHEMBL29772937 0.78 GAA (0.62) KDM4ENPC1RAB9ACYP3A4EPHX2
SCHEMBL148873 0.74 HSD17B10 (0.57) HSD17B10TSHRKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed
US-4023957-A Herbicidal 1-thiadiazolyl-5-carbamoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-05-17 US disclosed