SCHEMBL9713596

SCHEMBL9713596

COc1cc(OC(C)=O)c2c(Sc3ccc(NC(C)=O)cc3)cccc2c1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TOP1 P11387 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLA2G1B P04054 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.38
PKM P14618 2/20 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
SCHEMBL9713113 0.87 HTT (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9713601 0.86 TUBB4A (0.38) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10892237 0.85 KDM4E (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9713973 0.81 ABCB11 (0.41) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9713640 0.78 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9713440 0.78 HTT (0.40) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9627528 0.75 HTT (0.48) MAPTALDH1A1TOP1MEN1KMT2A
SCHEMBL9660612 0.73 HTT (0.52) MAPTALDH1A1TOP1MEN1KMT2A
SCHEMBL9629327 0.72 HTT (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9644096 0.70 ABCB11 (0.42) MAPTALDH1A1MEN1KMT2AHPGD

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed