SCHEMBL9656392

SCHEMBL9656392

COc1cc(OC(=O)NC(C)C)c2cc(Cl)ccc2c1OC(=O)NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.49
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
LPAR1 Q92633 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
NLRP1 Q9C000 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL9658050 0.84 ABCB11 (0.69) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9658069 0.84 NCEH1 (0.51) KMT2AMEN1ALDH1A1NCEH1LPAR1
SCHEMBL9660007 0.82 ABCB11 (0.50) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9629306 0.81 ABCB11 (0.68) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9659152 0.81 ABCB11 (0.52) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9713742 0.81 ABCB11 (0.49) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9659003 0.81 ABCB11 (0.52) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL10643955 0.81 ABCB11 (0.44) ABCB11ALDH1A1
SCHEMBL9657710 0.81 ATM (0.57) ABCB11KMT2AMEN1MAPTALDH1A1
SCHEMBL9657963 0.80 ABCB11 (0.55) ABCB11KMT2AMEN1MAPTALDH1A1

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