SCHEMBL6302567

SCHEMBL6302567

O=c1ccc2ccccc2cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.57
ALOX12 P18054 1/20 0.57
GSTP1 P09211 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
CA9 Q16790 6/20 0.43
CA12 O43570 5/20 0.43
PAX8 Q06710 1/20 0.43
CA1 P00915 4/20 0.42
CA7 P43166 3/20 0.42
CA2 P00918 3/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL29538674 1.00 CYP2A6 (0.57) CYP2A6ALOX12GSTP1TDP1ALDH1A1
SCHEMBL7905240 0.87 GSTP1 (0.48) CYP2A6ALOX12GSTP1TDP1ALDH1A1
SCHEMBL2637812 0.76 CYP2A6 (0.80) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL1484085 0.76 CYP2A6 (0.44) CYP2A6ALOX12GSTP1TDP1ALDH1A1
Naphthalene SCHEMBL1332240 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL1331142 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL1330659 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL8613802 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL8953 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10
Naphthalene SCHEMBL29358073 0.76 CYP2A6 (1.00) CYP2A6ALOX12TDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341261-A1 AXL COMPOUNDS Arcus Biosciences, Inc. (US) 2024-03-27 EP disclosed
WO-2022246177-A1 AXL COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2022-11-24 WO disclosed
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
EP-1268429-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-01-02 EP disclosed
WO-2001079172-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER Departament Brevets/Fontanes (FR) 2001-10-25 WO disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
WO-1998051687-A1 PIPERIDINO DERIVATIVES WHICH PROMOTE GROWTH HORMONE RELEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-19 WO disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0332064-A2 Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-13 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed