SCHEMBL28081032

SCHEMBL28081032

CC(C)C(C)Cc1cc[c]cc1.CC1CC(OOC(C)(C)C)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL29519 0.75 LMNA (0.38) LMNANR1I2ABCB11CYP3A4CYP2C9
Benzene SCHEMBL29078675 0.74 LMNA (0.43) LMNANR1I2ABCB11CYP3A4CYP2C9
SCHEMBL28208632 0.72
SCHEMBL6886443 0.68 TRPA1 (0.43) LMNANR1I2CYP3A4CYP2C9ALDH1A1
SCHEMBL1579230 0.67 LMNA (0.36) LMNANR1I2ABCB11CYP3A4CYP2C9
SCHEMBL28843567 0.66 ALDH1A1 (0.31) LMNACYP3A4CYP2C9ALDH1A1CYP1A2
SCHEMBL3796224 0.65 LMNA (0.35) LMNANR1I2ABCB11CYP3A4CYP2C9
SCHEMBL4442210 0.63 LMNA (0.44) LMNANR1I2ABCB11CYP3A4CYP2C9
SCHEMBL1579229 0.63 LMNA (0.33) LMNANR1I2ABCB11CYP3A4CYP2C9
SCHEMBL22117119 0.63 LMNA (0.33) LMNANR1I2ABCB11CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722905-A Moisture and peroxide crosslinkable polymer composition 陶氏环球技术有限责任公司 2016-06-29 CN disclosed