SCHEMBL7433755

SCHEMBL7433755

CCOC(=O)c1ccc(NC(=O)C(CSC(C)=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ABCC3 O15438 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR3C1 P04150 1/20 0.54
RARG P13631 1/20 0.54
CNR1 P21554 1/20 0.54
OPRK1 P41145 1/20 0.54
NR1H2 P55055 1/20 0.54
PPARA Q07869 1/20 0.54
NR1H3 Q13133 1/20 0.54
NR1I3 Q14994 1/20 0.54
MAPT P10636 2/20 0.54
NAMPT P43490 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53

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
SCHEMBL7439106 0.91 CYP1A2 (0.63) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7433382 0.89 MAPT (0.56) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7434199 0.86 CYP1A2 (0.55) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7393520 0.84 CYP1A2 (0.53) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7340049 0.83 CYP1A2 (0.50) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7342823 0.83 CYP1A2 (0.50) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19805597 0.82 MAPT (0.60) RAB9AMAPTNAMPTSMN1; SMN2GAA
SCHEMBL28753025 0.82 MAPT (0.60) RAB9AMAPTNAMPTSMN1; SMN2GAA
SCHEMBL7363583 0.81 RAB9A (0.60) RAB9AMAPTNAMPTSMN1; SMN2GAA
SCHEMBL7432730 0.80 RAB9A (0.64) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9

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
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed