SCHEMBL9016178

SCHEMBL9016178

CC1=CCC(C)C(C)(C)C1C/C=C(\C)C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
RASGRP3 Q8IV61 1/20 0.38
ALOX5 P09917 2/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 1/20 0.30
ATP1A2 P50993 1/20 0.30
ATP1B3 P54709 1/20 0.30
FXYD2 P54710 1/20 0.30
ATP1A4 Q13733 1/20 0.30

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
SCHEMBL9016181 1.00 PRKCA (0.38) PRKCARASGRP3ALOX5ALOX15ALOX12
SCHEMBL29403609 0.82 TSHR (0.34) PRKCARASGRP3
SCHEMBL29402647 0.82 TSHR (0.34) PRKCARASGRP3
SCHEMBL3503433 0.75 ALOX15 (0.42) ALOX15ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17627739 0.75 ALOX15 (0.42) ALOX15ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL9016197 0.75 ALOX15 (0.42) ALOX15ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL2426815 0.73 TSHR (0.37) PRKCARASGRP3
SCHEMBL2426813 0.73 TSHR (0.37) PRKCARASGRP3
SCHEMBL2426817 0.73 TSHR (0.37) PRKCARASGRP3
SCHEMBL2863012 0.72 TSHR (0.32) PRKCARASGRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403945-B1 Cycloaliphatic carbinols and their use as starting materials for the preparation of furan derivatives FIRMENICH & CIE (CH) 1996-12-18 EP disclosed
US-5155238-A Acidic cyclization of polyunsaturated, acyclic alcohol or protected alcohol; stereospecific; organoleptic FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5155239-A Preparation of polycyclic ethers FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5077417-A Acidifying, cyclizing a polyunsaturated alicyclic alcohol or protected hydroxy group FIRMENICH SA (CH) 1991-12-31 US disclosed
EP-0403945-A2 Cycloaliphatic carbinols and their use as starting materials for the preparation of furan derivatives FIRMENICH SA (CH) 1990-12-27 EP disclosed