SCHEMBL3087855

SCHEMBL3087855

CCCCCCCC=CCCC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
TERT O14746 3/20 0.58
PTPN1 P18031 3/20 0.58
PPARG P37231 3/20 0.58
PPARD Q03181 3/20 0.58
PPARA Q07869 3/20 0.58
TOP1 P11387 3/20 0.58
CYP1A2 P05177 2/20 0.58
MAPT P10636 2/20 0.58
CYP2C19 P33261 2/20 0.58
BLM P54132 2/20 0.58
HSD17B10 Q99714 2/20 0.58
FABP4 P15090 2/20 0.58
FAAH O00519 2/20 0.58
KMT2A Q03164 2/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL11065479 1.00 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL11792635 1.00 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL11065482 1.00 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL15316123 1.00 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL28482040 0.98 EPHX2 (0.61) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL1929342 0.98 EPHX2 (0.61) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL1929345 0.98 EPHX2 (0.61) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL23918136 0.92 EPHX2 (0.73) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL8983130 0.92 EPHX2 (0.73) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL4485310 0.92 EPHX2 (0.69) EPHX2TERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111867587-A Thioredoxin reductase inhibitors for the treatment of cancer 信达制药公司 2020-10-30 CN disclosed
US-PP21289-P3 Hop plant named ‘HBC 394’ Hop Breeding Company, L.L.C. (US) 2010-09-14 US disclosed
US-20090193555-P1 Hop plant named 'HBC 394' HOP BREEDING COMPANY, LLC 2009-07-30 US disclosed
US-3953377-A Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions FIRMENICH S.A. (CH) 1976-04-27 US disclosed