SCHEMBL28478012

SCHEMBL28478012

Cc1cc(C(C)(C)C)cc(C2CCCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 1/20 0.38
PSMB5 P28074 1/20 0.35
HTR1D P28221 3/20 0.33
HTR2C P28335 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1B P28222 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL16860599 0.78 CYP2D6 (0.43) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL200465 0.77 CYP2D6 (0.36) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL200466 0.77 CYP2D6 (0.45) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL10788433 0.74 PSMB5 (0.39) PSMB5HTR2CJAK2JAK1TYK2
SCHEMBL15488479 0.74 PSMB5 (0.41) PSMB5HTR2CJAK2JAK1TYK2
SCHEMBL14220678 0.73 EPHX1 (0.38) CYP2D6CYP1A2CYP2C19CYP2C9POLB
SCHEMBL26195938 0.72 PSMB5 (0.38) CYP2D6CYP1A2CYP2C19CYP2C9PSMB5
SCHEMBL8664743 0.71 POLB (0.57) CYP2D6CYP1A2CYP2C19CYP2C9POLB
SCHEMBL25824699 0.71 CCR1 (0.36) CYP2D6CYP1A2CYP2C19CYP2C9PSMB5
SCHEMBL11327360 0.70 CYP2C19 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117823926-A New energy organic waste gas high-efficiency safe purification and resource recovery treatment equipment 湖南江冶机电科技股份有限公司 2024-04-05 CN disclosed
CN-220590324-U Lithium battery shredder with mist absorbing function 舞钢市石博源新能源科技有限公司 2024-03-15 CN disclosed
CN-108128953-B Waste gas and wastewater treatment device and method for recycling and cracking waste lithium batteries 合肥恒力装备有限公司 2021-01-01 CN disclosed
CN-111855904-A Electrolyte waste gas detection device and application method thereof 安徽南都华铂新材料科技有限公司 2020-10-30 CN disclosed