SCHEMBL7705299

SCHEMBL7705299

CCc1ccc(CCl)c(CCl)c1CC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.39
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31

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
SCHEMBL6915878 1.00 CTRC (0.39) CTRCGABRA1GABRB2
SCHEMBL2494174 0.95 CTRC (0.37) CTRCGABRA1GABRB2
Ammonia Solution, Strong SCHEMBL135221 0.93 CTRC (0.35) CTRCGABRA1GABRB2
Phosphine SCHEMBL8595692 0.93 CTRC (0.35) CTRCGABRA1GABRB2
SCHEMBL6917622 0.90 CTRC (0.34) CTRCGABRA1GABRB2
SCHEMBL166573 0.82 GABRA1 (0.41) CTRCGABRA1GABRB2
SCHEMBL1045560 0.82 L3MBTL1 (0.36)
SCHEMBL29619533 0.82 GABRA1 (0.41) CTRCGABRA1GABRB2
SCHEMBL27829682 0.81 GABRA1 (0.46) GABRA1GABRB2
SCHEMBL8228734 0.80 CTRC (0.35) CTRC

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
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
US-6252009-B1 CROSSLINKING ACRYLONITRILE WITH DIISOCYANATE THE GOODYEAR TIRE & RUBBER COMPANY 2001-06-26 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed