SCHEMBL9713348

SCHEMBL9713348

CC(=O)Oc1cc(OC(C)C)c(OC(C)=O)c2cc(C)c(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
TOP1 P11387 2/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
AKR1B1 P15121 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL9713982 0.87 HTT (0.56) HTTPOLBKDM4EGAAMAPT
SCHEMBL9627484 0.83 HTT (0.51) HTTPOLBKDM4EGAAMAPT
SCHEMBL9627634 0.82 HTT (0.63) HTTPOLBKDM4EGAAMAPT
SCHEMBL9628275 0.79 HTT (0.48) HTTPOLBKDM4EGAAMAPT
SCHEMBL9713846 0.77 HTT (0.46) HTTPOLBKDM4EGAAMAPT
SCHEMBL19027917 0.74 ABCB11 (0.56) HTTPOLBKDM4EGAAMAPT
SCHEMBL14599183 0.72 HTT (0.46) HTTPOLBKDM4EGAAMAPT
SCHEMBL23535401 0.72 HTT (0.57) HTTPOLBKDM4EGAAMAPT
SCHEMBL19027463 0.72 RORC (0.53) HTTTOP1KMT2AELANE
SCHEMBL20095220 0.71 HTT (0.39) HTTPOLBKDM4EGAAMAPT

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