SCHEMBL5114911

SCHEMBL5114911

O=C(O)OC(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.39
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
GPR35 Q9HC97 1/20 0.37
AKR1B1 P15121 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL5114910 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6424792 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP2C19
SCHEMBL6394971 0.73 KMT2A (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4647200 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3495213 0.72 MEN1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1882695 0.72 AKR1B1 (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29853852 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6392222 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4648011 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3999298 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326510-B2 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS 2008-02-05 US disclosed
EP-1444550-B1 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2005-09-21 EP disclosed
US-20050026068-A1 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS (GR) 2005-02-03 US disclosed
EP-1444550-A2 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2004-08-11 EP disclosed
WO-2003038523-A2 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2003-05-08 WO disclosed