SCHEMBL8065632

SCHEMBL8065632

Cc1cc(CO)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.47
EGFR P00533 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
S1PR4 O95977 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.34
ENPP2 Q13822 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP6 P55212 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 2/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL2221421 0.88 ESR1 (0.56) SHBGEGFRESR1ESR2PTGS1
SCHEMBL8750442 0.86 EGFR (0.41) SHBGEGFRESR1ESR2HSD17B10
SCHEMBL8773231 0.86 TRPA1 (0.45) SHBGESR1ESR2PTGS1PTGS2
SCHEMBL9881325 0.85 SHBG (0.38) SHBGEGFRESR1ESR2HSD17B10
SCHEMBL27263781 0.85 SHBG (0.42) SHBGESR1ESR2ENPP2
SCHEMBL148755 0.83 SHBG (0.48) SHBGEGFRESR1ESR2HSD17B10
SCHEMBL29741490 0.83 SHBG (0.48) SHBGEGFRESR1ESR2HSD17B10
SCHEMBL16954455 0.83 VDR (0.41) SHBGEGFRESR1ESR2HSD17B10
SCHEMBL10239021 0.83 CNR1 (0.47) SHBGESR1ESR2
SCHEMBL19111150 0.83 KIF11 (0.43) SHBGTSHRS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170205711-A1 COMPOSITION FOR FORMING A RESIST UPPER-LAYER FILM AND METHOD FOR PRODUCING A SEMICONDUCTOR DEVICE USING THE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-20 US disclosed
US-9079983-B2 Chemoselective enrichment for compound isolation INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-14 US disclosed
EP-0543761-B1 Crosslinkable aqueous developable photoresist compositions IBM (US) 2000-06-14 EP disclosed
US-5312913-A Complexes of electron donors and electron acceptors IDEMITSU KOSAN CO., LTD. (JP) 1994-05-17 US disclosed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP disclosed
US-5175280-A Electroconductive complexes; heat resistance IDEMITSU KOSAN CO., LTD. (JP) 1992-12-29 US disclosed
EP-0454874-A1 THIA- AND/OR SELENAFULVALENYL COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-11-06 EP disclosed
US-4122070-A Fibers and anisotropic melts of polyazomethines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-24 US disclosed
US-4048148-A Polyazomethine fibers and films E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-13 US disclosed