SCHEMBL9713846

SCHEMBL9713846

CCCOc1cc(OC(C)=O)c2cc(C)c(C)cc2c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
PTPN1 P18031 2/20 0.40
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRNA4 P43681 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
BLM P54132 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
SCHEMBL9628275 0.88 HTT (0.48) HTTPTPN1CYP1A2ADRA2ACYP2D6
SCHEMBL9713982 0.85 HTT (0.56) HTTPTPN1POLBSMN1; SMN2BLM
SCHEMBL9627873 0.83 HTT (0.60) HTTPTPN1PKMSMN1; SMN2MAPT
SCHEMBL9627484 0.80 HTT (0.51) HTTPTPN1POLBSMN1; SMN2MAPT
SCHEMBL9713348 0.77 HTT (0.48) HTTPTPN1CYP1A2ADRA2ACYP2D6
SCHEMBL9628040 0.76 HTT (0.58) HTTMAPTHSD17B10KDM4EGAA
SCHEMBL9627747 0.75 HTT (0.57) HTTADRA2AOPRK1MAPTHSD17B10
SCHEMBL9713395 0.75 ABCB11 (0.52) HTTHTR2CPOLBSMN1; SMN2MAPT
SCHEMBL9628087 0.74 HTT (0.56) HTTADRA2AOPRK1MAPTHSD17B10
SCHEMBL9627400 0.74 HTT (0.56) HTTADRA2AOPRK1MAPTHSD17B10

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