SCHEMBL6026322

SCHEMBL6026322

C=CCC(C)(C(=O)c1ccc(F)cc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LSS P48449 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RIPK1 Q13546 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.35
MAPT P10636 1/20 0.35
PLOD2 O00469 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8899809 0.85 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL8898434 0.84 TSHR (0.44) CYP1A2CYP2C19SMN1; SMN2CES1NPC1
SCHEMBL8898410 0.83 CYP1A2 (0.41) CYP1A2CYP2C19LSSSMN1; SMN2CES2
SCHEMBL8898143 0.82 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL3432893 0.81 LMNA (0.33) CYP1A2RAB9AMAPTCA1CA2
SCHEMBL3424272 0.79 CYP1A2 (0.39) CYP1A2CYP2C19LSSSMN1; SMN2RIPK1
SCHEMBL4650902 0.76 GSK3B (0.46) SMN1; SMN2PTPN1NPC1RAB9AMAPT
SCHEMBL31042982 0.76 PLOD2 (0.43) CYP1A2CYP2C19SMN1; SMN2CES2CES1
SCHEMBL6026394 0.75 THRA (0.39) NPC1RAB9AKMT2A
SCHEMBL2697072 0.75 MLYCD (0.44) CYP2C19SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177182-B1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS CIBA SC HOLDING AG (CH) 2006-11-29 EP disclosed
US-6673850-B1 ODORLESS PHOTOINITIATOR COMPOUNDS HAVING CHAIN TRANSFER GROUPS CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-06 US disclosed
EP-1177182-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS Ciba SC Holding AG (CH) 2002-02-06 EP disclosed
WO-2000068218-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-11-16 WO disclosed
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed