SCHEMBL2746516

SCHEMBL2746516

O=C(O)c1ccccc1C(=O)OC#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
ALOX15 P16050 1/20 0.52
HNF4A P41235 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
AKR1C3 P42330 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL38695 0.94 NPC1 (0.47) ALDH1A1ALOX15HNF4ANPC1RAB9A
SCHEMBL8940636 0.86 NPC1 (0.57) ALDH1A1HNF4ANPC1RAB9AKDM4E
SCHEMBL28568009 0.84 HPGD (0.53) ALDH1A1ALOX15HNF4ANPC1RAB9A
SCHEMBL1713040 0.79 LMNA (0.46) ALDH1A1RAB9AKDM4EPAMFFAR1
SCHEMBL2256472 0.79 LMNA (0.52) ALDH1A1SMN1; SMN2NAPRTFFAR1MAPT
SCHEMBL2745851 0.78 TSHR (0.46) NAPRTFFAR1
SCHEMBL2747010 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15NPC1AKR1C3KDM4E
SCHEMBL23880583 0.75 APP (0.44) ALDH1A1HNF4ANPC1RAB9AKDM4E
SCHEMBL9364505 0.75 NPSR1 (0.46) ALDH1A1HNF4ANPC1RAB9AKDM4E
SCHEMBL1713010 0.74 TDP1 (0.45) ALDH1A1HNF4ARAB9AAKR1C3SMN1; SMN2

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
EP-2717353-B1 COATING AGENT COMPOSITION FOR BATTERY ELECTRODES OR SEPARATORS NIPPON SYNTHETIC CHEM IND (JP) 2016-11-02 EP disclosed
US-20160141625-A1 COATING AGENT COMPOSITION FOR BATTERY ELECTRODES OR SEPARATOR KYORITSU CHEMICAL & CO., LTD. (JP) 2016-05-19 US disclosed
US-8178631-B2 Resin composition, varnish, resin film and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-05-15 US disclosed
US-20090214860-A1 Resin Composition, Varnish, Resin Film and Semiconductor Device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2009-08-27 US disclosed
EP-1953181-A1 RESIN COMPOSITION, VARNISH, RESIN FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Ltd. (JP) 2008-08-06 EP disclosed