SCHEMBL6565527

SCHEMBL6565527

CCCCC(CC)C(=O)OC(=O)c1ccccc1Cl.[Ni]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CA2 P00918 2/20 0.49
CYP3A4 P08684 2/20 0.49
CA1 P00915 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL28356999 0.89 ALDH1A1 (0.60) ALDH1A1CA2CYP3A4CA1LMNA
SCHEMBL23398209 0.84 LMNA (0.64) ALDH1A1CA2CYP3A4CA1LMNA
SCHEMBL9722572 0.80 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4CA1LMNA
SCHEMBL27678034 0.79 CA2 (0.51) ALDH1A1CA2CYP3A4CA1LMNA
SCHEMBL1957684 0.77 PRSS1 (0.61) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL31241405 0.75 ALDH1A1 (0.61) ALDH1A1CA2CYP3A4CA1LMNA
2-Ethylhexanoic Acid SCHEMBL6565519 0.75 CA2 (0.55) ALDH1A1CA2CYP3A4CA1LMNA
Biphenyl SCHEMBL19019812 0.75 CA2 (0.53) ALDH1A1CA2CYP3A4CA1LMNA
SCHEMBL28189022 0.75 HPGD (0.51) ALDH1A1CYP3A4LMNAHPGDTSHR
SCHEMBL2059607 0.74 TSHR (0.77) ALDH1A1CYP3A4LMNAHPGDTSHR

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-5196625-A Dimerization CHEVRON RESEARCH & TECHNOLOGY COMPANY (US) 1993-03-23 US claimed
US-5196624-A Dimerization catalyst, nickel compound, alkylaluminum halide, phosphine compound CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1993-03-23 US claimed
EP-0958267-B1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INT RESEARCH (NL) 2004-03-31 EP disclosed
US-6222077-B1 Dimerized alcohol compositions and biodegradible surfactants made therefrom having cold water detergency SHELL OIL COMPANY 2001-04-24 US disclosed
EP-0958267-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1999-11-24 EP disclosed
US-5780694-A DIMERIZING AN OLEFIN FEED OF C6-C20 OLEFINS IN THE PRESENCE OF A HOMOGENEOUS CATALYST FOLLOWED BY HYDROFORMYLATION TO OBTAIN BRANCHED ALCOHOLS AS INTERMEDIATES FOR ANIONIC SULFATE AND NONIONIC SURFACTANTS SHELL OIL COMPANY (US) 1998-07-14 US disclosed
WO-1998023566-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1998-06-04 WO disclosed
US-4959491-A PROPYLENE DIMERIZATION CATALYSTS CHEVRON RESEARCH COMPANY (US) 1990-09-25 US disclosed