SCHEMBL30570933

SCHEMBL30570933

C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.51
OPRM1 P35372 6/20 0.51
OPRK1 P41145 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCC3 O15438 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
RARG P13631 1/20 0.50
CNR1 P21554 1/20 0.50
NR1H2 P55055 1/20 0.50
PPARA Q07869 1/20 0.50
NR1H3 Q13133 1/20 0.50
NR1I3 Q14994 1/20 0.50
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9112878 0.90 CYP1A2 (0.54) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11683872 0.89 CYP1A2 (0.57) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10628849 0.85 SYK (0.54) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL26259369 0.84 CYP1A2 (0.58) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14064363 0.81 MAPT (0.64) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5967274 0.81 CYP3A4 (0.47) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27539731 0.81 CYP3A4 (0.47) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10626940 0.80 SYK (0.55) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19836950 0.80 SYK (0.55) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5034197 0.79 CYP1A2 (0.58) OPRK1CYP1A2CYP3A4CYP2D6CYP2C9

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-116589526-A Modified rubber based on polypeptide, and preparation method and application thereof 中国科学院长春应用化学研究所 2023-08-15 CN disclosed