SCHEMBL8767359

SCHEMBL8767359

C1=CCC([C@H]2C[C@@H]3C=C[C@H]2C3)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8766166 1.00 ALDH1A1 (0.32) ALDH1A1ALOX15HSD17B10
SCHEMBL4101083 1.00 ALDH1A1 (0.32) ALDH1A1ALOX15HSD17B10
SCHEMBL553412 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5342170 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22617 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7535152 0.73 KDM4E (0.32) ALDH1A1
SCHEMBL409464 0.73 HSD11B1 (0.32) ALDH1A1
SCHEMBL249375 0.71 HSD11B1 (0.35) ALDH1A1
SCHEMBL250942 0.71 HSD11B1 (0.35) ALDH1A1
SCHEMBL961444 0.71 KDM4E (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620807-B1 DIELS-ALDER PROCESS SHELL OIL CO (US) 1997-06-18 EP disclosed
EP-0595979-B1 POLYMERIZATION PROCESS FOR CYCLOOLEFINS SHELL OIL CO (US) 1996-03-20 EP disclosed
EP-0698592-A1 Phenolic allyl ether cross-linking agents SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-02-28 EP disclosed
US-5495051-A Phenolic allyl ethers SHELL OIL COMPANY (US) 1996-02-27 US disclosed
US-5406003-A Phenolic compounds SHELL OIL COMPANY (US) 1995-04-11 US disclosed
US-5382713-A Phenolic compounds SHELL OIL COMPANY (US) 1995-01-17 US disclosed
US-5359023-A Glycidylated reaction products of phenols and adducts of vinylcyclohexene and cyclopentadiene or its oligomers SHELL OIL COMPANY (US) 1994-10-25 US disclosed
US-5340912-A Curing to polycyanurates; cyanation of addition product of phenol and a cyclohexene-norbornene compound SHELL OIL COMPANY (US) 1994-08-23 US disclosed
EP-0608952-A1 Phenolic compounds and glycidyl ethers thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-08-03 EP disclosed
US-5284929-A Used in high-performance electrical laminating and encapsulation formulations SHELL OIL COMPANY (US) 1994-02-08 US disclosed
WO-1993023448-A1 POLYMER COMPOSITIONS SHELL OIL COMPANY (US) 1993-11-25 WO disclosed
US-5260498-A 5-(3-cyclohexe-1-yl)-2-norbornene SHELL OIL COMPANY (US) 1993-11-09 US disclosed