SCHEMBL29002020

SCHEMBL29002020

C=Cc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.OP(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
ALDH1A1 P00352 5/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
ALOX15 P16050 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL30404217 0.85 POLB (0.38) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL31697683 0.82 GABRA1 (0.37) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL9836667 0.80 POLB (0.46) POLBGABRA1GABRB2CYP3A4TSHR
SCHEMBL4412836 0.77 POLB (0.43) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL15064206 0.75 POLB (0.41) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL28380640 0.73 CYP2C9 (0.61) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL29162615 0.73 GABRA1 (0.39) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL24336854 0.69 GABRA1 (0.33) POLBGABRA1GABRB2
SCHEMBL14432597 0.69 CYP2C9 (0.46) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL10548975 0.69 ALDH1A1 (0.45) POLBGABRA1GABRB2CYP1A2CYP2C9

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-116113662-A Resin composition 电化株式会社 2023-05-12 CN disclosed