SCHEMBL5940596

SCHEMBL5940596

CCCOc1cc(C)cc2oc(=O)c(C(=O)c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR55 Q9Y2T6 1/20 0.48
MAOB P27338 2/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
CNR2 P34972 5/20 0.45
MIF P14174 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL15928273 0.89 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL51591 0.89 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL52048 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL4567094 0.83 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL13996204 0.82 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL29253118 0.80 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL52081 0.80 ALDH1A1 (0.68) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL51419 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL29456868 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL21111950 0.79 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160177453-A1 METHOD OF PHOTOPOLYMERIZING OF ACRYLATES QUALEX INC. 2016-06-23 US disclosed
US-9365658-B2 Method of photocuring acrylate compositions EASTMAN KODAK COMPANY (US) 2016-06-14 US disclosed
US-20150024141-A1 METHOD OF PHOTOCURING ACRYLATE COMPOSITIONS BANK OF AMERICA, N.A., AS AGENT 2015-01-22 US disclosed
US-20140216283-A1 METHOD OF FLEXOGRAPHIC PATTERNING USING PHOTOCURABLE COMPOSITION FAR EAST DEVELOPMENT LTD. 2014-08-07 US disclosed
US-8399533-B2 Photocurable compositions containing N-oxyazinium salt photoinitiators EASTMAN KODAK COMPANY (US) 2013-03-19 US disclosed
US-20120121815-A1 METHOD OF PHOTOPOLYMERIZING OF ACRYLATES KODAK (NEAR EAST) INC. 2012-05-17 US disclosed
US-20120123010-A1 PHOTOCURABLE COMPOSITIONS FAR EAST DEVELOPMENT LTD. 2012-05-17 US disclosed