SCHEMBL9728284

SCHEMBL9728284

CCC(C)n1nnn(-c2c(C(C)C)cc(Cc3ccccc3)cc2C(C)C)c1=S

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HCAR3 P49019 1/20 0.30

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
SCHEMBL9845729 0.70 TYR (0.31) ALDH1A1
SCHEMBL9728387 0.69 DPP4 (0.36) ALDH1A1HCAR3
SCHEMBL9728180 0.68 DPP4 (0.42) ALDH1A1
SCHEMBL9442168 0.64 GSR (0.52)
SCHEMBL9728643 0.63 DPP4 (0.39) ALDH1A1
SCHEMBL9456464 0.60 TSHR (0.43)
SCHEMBL28968803 0.59 CNR2 (0.42)
SCHEMBL28644828 0.59 HMGB1 (0.45)
SCHEMBL9729305 0.57 TSHR (0.37) ALDH1A1
SCHEMBL9456498 0.57 GABRA1 (0.38) ALDH1A1

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-5138068-A Pesticide CIBA-GEIGY CORPORATION (US) 1992-08-11 US disclosed
US-5066667-A Controlling insects and arachnids CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed