SCHEMBL9660468

SCHEMBL9660468

CCOc1cc(OCC)c2ccccc2c1OC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
SLC2A1 P11166 2/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 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
SCHEMBL9656999 0.96 TSHR (0.41) TSHRPOLBCASP6L3MBTL1GLA
SCHEMBL9660550 0.90 SLC2A1 (0.44) TSHRPOLBCASP6L3MBTL1GLA
SCHEMBL9657911 0.89 KMT2A (0.43) POLBCASP6ALDH1A1KMT2AMAPT
SCHEMBL9660597 0.86 CASP3 (0.44) TSHRL3MBTL1GLASLC2A1CASP3
SCHEMBL9659440 0.86 SLC2A1 (0.46) TSHRL3MBTL1GLASLC2A1KMT2A
SCHEMBL9656386 0.85 KMT2A (0.42) POLBCASP6ALDH1A1KMT2AMAPT
SCHEMBL9656404 0.84 PTGER4 (0.42) TSHRPOLBCASP6L3MBTL1GLA
SCHEMBL9658081 0.83 KDM4E (0.46) POLBL3MBTL1CASP3CASP7CASP9
SCHEMBL9628409 0.82 HTT (0.56) TSHRL3MBTL1GLASLC2A1CASP3
SCHEMBL9659086 0.82 SLC2A1 (0.41) TSHRL3MBTL1GLASLC2A1CASP3

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