SCHEMBL7689933

SCHEMBL7689933

CC(C)(C)c1cc(C(CC(=O)OC(O)CCCCCO)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.41
CACNA1A O00555 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB1 Q02641 1/20 0.36
KCNH2 Q12809 2/20 0.35
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
GSR P00390 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL28024908 0.85 VCAM1 (0.46) VCAM1CACNA1ACACNA2D1CACNB1GAA
SCHEMBL517944 0.81 VCAM1 (0.44) VCAM1CACNA1ACACNA2D1CACNB1LMNA
SCHEMBL17182591 0.76 VCAM1 (0.43) VCAM1CACNA1ACACNA2D1CACNB1KCNH2
SCHEMBL28687920 0.76 VCAM1 (0.38) VCAM1CACNA1ACACNA2D1CACNB1KCNH2
SCHEMBL4866719 0.74 VCAM1 (0.44) VCAM1KCNH2GAALMNAALDH1A1
1,6-Hexanediol SCHEMBL887987 0.72 VCAM1 (0.43) VCAM1CACNA1ACACNA2D1CACNB1GAA
1,6-Hexanediol SCHEMBL27465667 0.72 VCAM1 (0.43) VCAM1CACNA1ACACNA2D1CACNB1GAA
SCHEMBL3683439 0.72 VCAM1 (0.39) VCAM1CACNA1ACACNA2D1CACNB1GAA
SCHEMBL11810553 0.71 GAA (0.49) GAA
SCHEMBL4428292 0.71 GLRA3 (0.48) VCAM1CACNA1ACACNA2D1CACNB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339132-B1 COMPRESSING IN COMPRESSOR UNREACTED VINYL CHLORIDE MONOMER RECOVERED FROM A PROCESS OF VINYL CHLORIDE POLYMER OR COPOLYMER PRODUCTION, IN CONTACT WITH LUBRICATING OIL FED INTO COMPRESSOR; DISCHARGING MIXTURE; SEPARTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US claimed
US-6339132-B1 COMPRESSING IN COMPRESSOR UNREACTED VINYL CHLORIDE MONOMER RECOVERED FROM A PROCESS OF VINYL CHLORIDE POLYMER OR COPOLYMER PRODUCTION, IN CONTACT WITH LUBRICATING OIL FED INTO COMPRESSOR; DISCHARGING MIXTURE; SEPARTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed
EP-0273092-B1 A RANDOM COPOLYMER CONTAINING HEXAGONAL IMIDE UNITS,A PROCESS FOR PRODUCING THE SAME,AND AN OPTICAL DISC SUBSTRATE MADE OF THE RANDOM COPOLYMER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-07-28 EP disclosed
US-5198305-A Copolymers with random anhydride units, (meth)acrylic acid units and methyl methacrylate in ketone ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-03-30 US disclosed
EP-0273397-B1 A SUBSTRATE FOR AN OPTICAL ELEMENT Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-07-22 EP disclosed
US-4820778-A WITH METHYL METHACRYLATE, AROMATIC VINYL COMPOUND, METHACRYLIC ACID AND (OPTIONAL) DIMETHYLGLUTARIC ANHYDRIDE UNITS ASAHI KASEI KOKYO KABUSHIKI KAISHA (JP) 1989-04-11 US disclosed
EP-0273092-A2 A random copolymer containing hexagonal imide units,a process for producing the same,and an optical disc substrate made of the random copolymer Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-07-06 EP disclosed