SCHEMBL8971038

SCHEMBL8971038

CC(C)(C)C1(c2ccccc2)OC1COCC1OC1(c1ccccc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL8971030 0.81 CYP3A4 (0.37) CYP3A4MAPK1
SCHEMBL8505305 0.71 CYP3A4 (0.32) CYP3A4MAPK1CHRM2CHRM1
SCHEMBL11768781 0.66 OPRM1 (0.37)
SCHEMBL28193546 0.64 CHRNB2 (0.36) CYP3A4MAPK1
SCHEMBL7145685 0.62 TDP1 (0.41) CYP3A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL22018700 0.62 TSHR (0.52)
SCHEMBL28208612 0.61 TDP1 (0.44) CYP3A4MAPK1CHRM2CHRM4CHRM5
SCHEMBL3319725 0.59 MAPK1 (0.36) CYP3A4MAPK1CHRM2CHRM4CHRM5
SCHEMBL15892809 0.59 TSHR (0.47)
SCHEMBL15892812 0.59 TSHR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104527083-A Method for preparing self-healing composite material by employing electrospinning method CHINESE ACAD INST CHEMISTRY 2015-04-22 CN claimed
CN-110534230-A A kind of circuit printing low-temperature cured conductive silver paste and preparation method thereof BEIJING HYPERION TECH CO LTD 2019-12-03 CN disclosed
CN-104527083-B Method for preparing self-healing composite material by employing electrospinning method 中国科学院化学研究所 2017-03-22 CN disclosed
CN-104527083-A Method for preparing self-healing composite material by employing electrospinning method CHINESE ACAD INST CHEMISTRY 2015-04-22 CN disclosed
CN-102264877-B Refrigeration lubricant composition SHRIEVE CHEMICAL PRODUCTS INC 2014-12-10 CN disclosed
EP-0311926-B1 Photopolymerisable composition MORTON INT INC (US) 1996-03-20 EP disclosed
US-4940647-A Photopolymerizable compositions a leuco dye and a leuco dye stabilizer HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0311926-A2 Photopolymerisable composition MORTON INTERNATIONAL, INC. (US) 1989-04-19 EP disclosed