SCHEMBL9657151

SCHEMBL9657151

CCOc1c(C)c(OC(=O)NC)c2cc(Cl)ccc2c1OC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PLK1 P53350 1/20 0.35
POLB P06746 3/20 0.34
GAA P10253 3/20 0.34
TSHR P16473 3/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9656425 0.92 ABCB11 (0.50) ABCB11SMN1; SMN2MAPTTAS1R3TAS1R1
SCHEMBL9654917 0.86 ABCB11 (0.50) ABCB11SMN1; SMN2MAPTTAS1R3TAS1R1
SCHEMBL9657798 0.86 ABCB11 (0.59) ABCB11SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL9654673 0.86 ABCB11 (0.59) ABCB11SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL9627563 0.83 ABCB11 (0.63) ABCB11MAPTMAOBKDM4EPOLB
SCHEMBL9627670 0.83 ABCB11 (0.59) ABCB11MAPTMAOBKDM4EPOLB
SCHEMBL9656448 0.80 ABCB11 (0.70) ABCB11SMN1; SMN2MAPTKDM4EGAA
SCHEMBL9654842 0.79 ABCB11 (0.47) ABCB11SMN1; SMN2POLBTSHRALOX15
SCHEMBL9660000 0.78 ABCB11 (0.44) ABCB11SMN1; SMN2MAPTPOLBGAA
SCHEMBL9658326 0.78 ABCB11 (0.55) ABCB11SMN1; SMN2MAPTTAS1R3TAS1R1

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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed