SCHEMBL5347783

SCHEMBL5347783

CC1(C(=O)OCC(Cl)(Cl)Cl)CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CETP P11597 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 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
SCHEMBL472018 0.87 P2RX7 (0.34) P2RX7CYP2D6CYP2C19CETP
SCHEMBL17147582 0.86 P2RX7 (0.34) P2RX7CYP2D6CYP2C19CETP
SCHEMBL200228 0.83 CYP2C19 (0.40) P2RX7CYP2D6CYP2C19CETP
SCHEMBL14628487 0.81 P2RX7 (0.36) P2RX7CYP2D6CYP2C19CETP
SCHEMBL4253408 0.81 P2RX7 (0.36) P2RX7CYP2D6CYP2C19CETP
SCHEMBL201163 0.81 CYP2D6 (0.38) P2RX7CYP2D6CYP2C19CETP
SCHEMBL5347778 0.80 CYP2D6 (0.35) P2RX7CYP2D6CYP2C19CETP
SCHEMBL1451060 0.79 CETP (0.37) P2RX7CYP2D6CYP2C19CETP
SCHEMBL3901853 0.79 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL10175353 0.79 USP2 (0.33) P2RX7CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed