SCHEMBL6890734

SCHEMBL6890734

CCc1ccc2cc3cc4cc5cc(CC)ccc5cc4cc3cc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.73
CYP1A2 P05177 1/20 0.73
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
TRPA1 O75762 1/20 0.48
DAO P14920 1/20 0.41
BDKRB2 P30411 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6885287 1.00 CYP2A6 (0.73) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL347592 0.94 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL29407167 0.94 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL30288474 0.93 CYP1A2 (0.86) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL6890420 0.93 CYP1A2 (0.86) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL6892841 0.93 CYP1A2 (0.86) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL40950 0.93 CYP1A2 (0.86) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL29475635 0.92 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL1878783 0.92 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL27569471 0.91 CYP1A2 (0.83) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100456518-C Organic thin film transistor and method for manufacturing the same 3M INNOVATIVE PROPERTIES CO (US) 2009-01-28 CN claimed
CN-1639884-A Organic thin film transistor with improved gate dielectric surface 3M INNOVATIVE PROPERTIES CO (US) 2005-07-13 CN claimed
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP claimed
US-6768132-B2 MULTILAYER INTEGRATED CIRCUIT; BARRIER DIELECTRIC AND SEMICONDUCTOR 3M INNOVATIVE PROPERTIES COMPANY 2004-07-27 US claimed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US claimed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO claimed
CN-100456518-C Organic thin film transistor and method for manufacturing the same 3M INNOVATIVE PROPERTIES CO (US) 2009-01-28 CN disclosed
CN-1639884-A Organic thin film transistor with improved gate dielectric surface 3M INNOVATIVE PROPERTIES CO (US) 2005-07-13 CN disclosed
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP disclosed
US-6768132-B2 MULTILAYER INTEGRATED CIRCUIT; BARRIER DIELECTRIC AND SEMICONDUCTOR 3M INNOVATIVE PROPERTIES COMPANY 2004-07-27 US disclosed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO disclosed