SCHEMBL9628323

SCHEMBL9628323

CCCOc1c(OC)cc(OC(C)=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TNFSF11 O14788 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL9629477 0.91 HTT (0.50) HTTALOX5
SCHEMBL9629305 0.89 HTT (0.50) HTTSMN1; SMN2ALDH1A1TNFSF11MAPT
SCHEMBL9628345 0.89 HTT (0.56) HTTTNFSF11MAPTALOX5TSHR
SCHEMBL9660042 0.88 SMN1; SMN2 (0.43) HTTSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL9627936 0.88 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL9627873 0.86 HTT (0.60) HTTSMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL9659126 0.86 ALDH1A1 (0.45) HTTSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL9628363 0.85 HTT (0.55) HTTMAPTL3MBTL1TSHRKDM4E
SCHEMBL10698804 0.84 HTT (0.64) HTTSMN1; SMN2ALDH1A1TNFSF11MAPT
SCHEMBL9627465 0.84 HTT (0.69) HTTALDH1A1TNFSF11MAPTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed