SCHEMBL8765414

SCHEMBL8765414

Clc1ccc2c3c(ccc(Cl)c13)C=C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
AHR P35869 1/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL9344302 0.79 CYP2A6 (0.44) CYP1A2CYP2A6AHRTP53LMNA
SCHEMBL1500325 0.79 GAA (0.30)
SCHEMBL3408215 0.71 CYP1A2 (0.48) CYP1A2CYP2A6LMNATSHR
SCHEMBL8766049 0.68 CYP1A2 (0.33) CYP1A2CYP2A6AHRTP53
SCHEMBL15517767 0.67 CYP2A6 (0.42) CYP1A2CYP2A6AHRTP53LMNA
SCHEMBL11813245 0.62 TSHR (0.43) TP53TSHR
SCHEMBL1925295 0.62
SCHEMBL11309534 0.62 CYP1A2 (0.32) CYP1A2TSHR
SCHEMBL119725 0.62 PIM1 (0.47) CYP1A2LMNATSHR
SCHEMBL7703939 0.61 HTR2A (0.37) CYP1A2CYP2A6LMNA

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
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed