SCHEMBL8398802

SCHEMBL8398802

C=C1CC(C(C)(C)C)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18980995 0.78
SCHEMBL18981157 0.75
SCHEMBL8352516 0.74
SCHEMBL23395807 0.71
SCHEMBL23395955 0.70 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL311139 0.70
SCHEMBL8398148 0.69 OPRM1 (0.32)
SCHEMBL9557980 0.69 CTSV (0.38) ALDH1A1
SCHEMBL7766761 0.69 CYP3A4 (0.40) SMN1; SMN2ALDH1A1POLBMAPTL3MBTL1
SCHEMBL8396285 0.67 KAT2A (0.39) KDM4EPOLB

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
US-20170174802-A1 COPOLYMER AND MOLDED ARTICLE KURARAY CO., LTD. (JP) 2017-06-22 US disclosed
WO-2017071793-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-05-04 WO disclosed
EP-0722960-B1 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles AGOMER GES MIT BESCHRAENKTER H (DE) 1999-06-02 EP disclosed
US-5880235-A POLYMER PREPARED BY COPOLYMERIZING ALPHA-METHYLENE-GAMMA-BUTYROLACTONE AND VINYLICALLY UNSATURATED MONOMER AGOMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-09 US disclosed
EP-0722960-A2 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles Degussa Aktiengesellschaft (DE) 1996-07-24 EP disclosed