SCHEMBL28297056

SCHEMBL28297056

CC(C)(c1cccc2ccccc12)C(C)(C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP2A6 P11509 4/20 0.48
HSD17B10 Q99714 5/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 5/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
ACP3 P15309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KIF11 P52732 1/20 0.39
SSTR4 P31391 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR4 P51679 1/20 0.39

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
SCHEMBL4818310 0.85 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29972825 0.85 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL252402 0.85 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779049 0.83 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL9252334 0.83 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779052 0.83 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL23916639 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4770081 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL14962517 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2332334 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440424-A Flame-retardant master batch and preparation method and application thereof 山东科技大学 2020-07-24 CN claimed
CN-111440424-A Flame-retardant master batch and preparation method and application thereof 山东科技大学 2020-07-24 CN disclosed
CN-109734959-A A kind of heat-resistance type radical initiator and its preparation method and application 清远市普塞呋磷化学有限公司 2019-05-10 CN disclosed