SCHEMBL8064815

SCHEMBL8064815

C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
ELANE P08246 2/20 0.49
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP19A1 P11511 1/20 0.43

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
SCHEMBL8064810 1.00 CYP2C19 (0.51) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL28161325 0.93 CYP2C19 (0.49) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL7897292 0.93 CYP2C19 (0.49) CYP2C19ELANEMAPTMAPK1KMT2A
Acrylic Acid Methyl Ester SCHEMBL16827218 0.93 CYP2C19 (0.46) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL7897294 0.93 CYP2C19 (0.49) CYP2C19ELANEMAPTMAPK1KMT2A
Acrylic Acid Methyl Ester SCHEMBL28059502 0.93 CYP2C19 (0.46) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL28184129 0.92 CYP2C19 (0.45) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL3204032 0.92 CYP2C19 (0.55) CYP2C19ELANEMAPTMAPK1KMT2A
Acrylic Acid SCHEMBL645423 0.91 CYP2C19 (0.49) CYP2C19ELANEMAPTMAPK1KMT2A
Acrylic Acid SCHEMBL28176154 0.91 CYP2C19 (0.49) CYP2C19ELANEMAPTMAPK1KMT2A

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-4689379-A TERPOLYMER OF VINYL ESTER, ALKYL MALEATE HALF ESTER AND ACRYLATE OR METHACRYLATE ESTER GAF CORPORATION (US) 1987-08-25 US claimed
CN-114729100-B Blocked polyisocyanate crosslinking agent, process for producing the same and coating composition comprising the same 巴斯夫涂料有限公司 2024-04-16 CN disclosed
US-6037416-A COMPOSITION COMPRISING ACRYLIC COPOLYMER (A) CONTAINING UNSATURATED ACID ANHYDRIDE GROUPS AND UNSATURATED MONOESTER GROUPS AND AN ACRYLIC COPOLYMER (B) WITH EPOXY AND HYDROXY GROUPS MITSUBISHI RAYON CO., LTD. (JP) 2000-03-14 US disclosed
EP-0925322-A1 THERMOPLASTIC COMPOSITIONS CONTAINING ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1999-06-30 EP disclosed
WO-1998010010-A1 THERMOPLASTIC COMPOSITIONS CONTAINING ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1998-03-12 WO disclosed