SCHEMBL9864892

SCHEMBL9864892

CCc1cccc(CC)c1NC(=O)C(Cl)(Cl)CC1(c2cc(Cl)cc(Cl)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
S1PR4 O95977 2/20 0.38
CACNA1C Q13936 2/20 0.35
SCN5A Q14524 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IDH1 O75874 1/20 0.34
CCR5 P51681 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL9866320 0.77 CACNA1H (0.34)
SCHEMBL9865120 0.76 CHRNA1 (0.32)
SCHEMBL9865710 0.75 CA12 (0.41) KDM4EALDH1A1
SCHEMBL9865234 0.75
SCHEMBL9865819 0.73 CHRNA1 (0.32)
Acetic Acid SCHEMBL9088214 0.71 CHRNA1 (0.35) ALDH1A1
SCHEMBL9864918 0.69 CHRNA1 (0.32)
SCHEMBL9865542 0.69 SLC6A3 (0.38) SCN5A
SCHEMBL9577872 0.68 CHRNA1 (0.36)
SCHEMBL9614276 0.68 NLRP3 (0.44) S1PR4CACNA1CSCN5AKDM4EALDH1A1

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-5006151-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
US-4929268-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-05-29 US disclosed