SCHEMBL28516083

SCHEMBL28516083

CC(C)C(C)(c1ccccc1)C(C)(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
RIPK1 Q13546 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNN4 O15554 3/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2B6 P20813 1/20 0.37

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
SCHEMBL23264401 0.85 CYP1A2 (0.48) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL3088976 0.78 MAPK1 (0.46) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL575235 0.78 MAPK1 (0.46) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL3660630 0.78 TAAR1 (0.48) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL11741048 0.75 CYP2C19 (0.42) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL11044685 0.74 CYP2D6 (0.46) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL22402881 0.74 CYP2D6 (0.46) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL3079554 0.74 CYP2D6 (0.46) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL12884227 0.74 CYP2D6 (0.47) MAPK1CYP2D6CYP1A2CYP2C19HIF1A
SCHEMBL999658 0.74 CYP1A2 (0.52) MAPK1CYP2D6CYP1A2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321942-B Low-gloss halogen-free flame-retardant alloy material and preparation method thereof 广东聚石化学股份有限公司 2022-12-09 CN disclosed
CN-112321942-A Low-gloss halogen-free flame-retardant alloy material and preparation method thereof 广东聚石化学股份有限公司 2021-02-05 CN disclosed