SCHEMBL3434411

SCHEMBL3434411

C=CCOc1cccc2c1C(=O)OC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2A6 P11509 1/20 0.49
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ LIG1 P18858 1/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL5919579 0.81 KCNA3 (0.50) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL30930077 0.81 ALOX15 (0.43) CYP3A4CA1CA9HPGDALDH1A1
SCHEMBL21543800 0.78 TTR (0.46) CYP2A6PTPRCHPGDMAPK1ALDH1A1
SCHEMBL9131263 0.78 CA12 (0.47) CYP3A4CYP2A6CA12CA1CA9
SCHEMBL10663882 0.77 KCNA3 (0.57) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL17594770 0.77 TOP1 (0.56) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL23355842 0.77 MAOB (0.42) HPGDMAPK1ALDH1A1MEN1MAPT
SCHEMBL3435349 0.76 CYP3A4 (0.44) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL20454563 0.76 HPGD (0.47) CYP3A4CYP2A6CA12CA1CA9
SCHEMBL21543827 0.75 CYP2A6 (0.48) CYP2A6HPGDHSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361218-B2 Coloring composition, method for production thereof, and coloring method Dainischiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2013-01-29 — — US disclosed
US-20100291359-A1 Coloring composition, method for production thereof, and coloring method DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 — — US disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 — — EP disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 — — US disclosed
US-4261898-A ADHESION PROMOTERS, CURING AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 — — US disclosed
US-4176124-A ADHESION PROMOTERS BETWEEN SOLIDS AND ORGANIC RESINS OR CURING AGENTS FOR EPOXIDE RESINS CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
EP-0003758-A1 Etherified hydroxy-benzodiheterocycles and their acid addition salts, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-05 — — EP disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 — — US disclosed
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