SCHEMBL9660331

SCHEMBL9660331

CNC(=O)Oc1c(Oc2ccccc2)cc(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
NUDT1 P36639 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 1/20 0.43
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
PDGFRA P16234 2/20 0.42
KIT P10721 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KDR P35968 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL9659562 0.90 ALDH1A1 (0.47) TTRNUDT1ALDH1A1PGRGAA
SCHEMBL9657987 0.89 ALDH1A1 (0.50) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9658026 0.86 TTR (0.47) TTRNUDT1ALDH1A1HSD17B10PDGFRA
SCHEMBL9655015 0.85 ALDH1A1 (0.53) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659017 0.82 ALDH1A1 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659170 0.82 HSD17B10 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660343 0.82 PKM (0.48) TTRALDH1A1RAB9AMEN1KMT2A
SCHEMBL9654937 0.80 TOP2A (0.49) NUDT1ALDH1A1PGRGAAPTGS1
SCHEMBL19612272 0.80 ALDH1A1 (0.48) TTRALDH1A1MAPK1KMT2APOLB
SCHEMBL9660610 0.79 ALDH1A1 (0.53) ALDH1A1PGRGAAPTGS1MAPK1

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-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US 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