SCHEMBL861710

SCHEMBL861710

C=CCCC1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 3/20 0.43
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36

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
Methyl Alcohol SCHEMBL11303461 0.94 ALDH1A1 (0.44) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL2704495 0.94
SCHEMBL3630260 0.88 TAAR1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL16239876 0.85 TAAR1 (0.41) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL3943711 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL825694 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL8118694 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL6590309 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2
SCHEMBL116659 0.78
SCHEMBL5918020 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2USP2

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
EP-1151982-B1 PROCESS FOR CONTINUOUSLY PRODUCING TETRACYCLODODECENE COMPOUND JX NIPPON OIL & ENERGY CORP (JP) 2012-03-28 EP disclosed
CN-101448765-A Process for the alkylation of a cycloalkene SHELL INT RESEARCH (NL) 2009-06-03 CN disclosed
US-6441259-B1 FROM (DI)CYCLOPENTADIENE AND OLEFIN NIPPON PETROCHEMICALS CO., LTD. (JP) 2002-08-27 US disclosed
EP-1151982-A1 PROCESS FOR CONTINUOUSLY PRODUCING TETRACYCLODODECENE COMPOUND Nippon Petrochemicals Company, Limited (JP) 2001-11-07 EP disclosed
EP-0159755-A2 Isomerization of tertiary olefins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-10-30 EP disclosed
US-4544780-A CATALYST OF OXYGEN, HYDROPEROXIDE OR PROTIC ACID SHELL OIL COMPANY (US) 1985-10-01 US disclosed
US-4227028-A DEUTERATION, ISOMERIZATION ALLIED CHEMICAL CORPORATION (US) 1980-10-07 US disclosed
US-4190612-A Regioselective isomerization at carbon atom vicinal to doubly bonded tertiary carbon atom by sulfur dioxide catalysis ALLIED CHEMICAL CORPORATION (US) 1980-02-26 US disclosed