SCHEMBL9657939

SCHEMBL9657939

CCOc1cc(OC(=O)OC)c2cc(Cl)ccc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.49
LMNA P02545 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NCOA1 Q15788 1/20 0.38

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
SCHEMBL9659000 0.90 ABCB11 (0.46) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9657963 0.88 ABCB11 (0.55) ABCB11LMNAMEN1KMT2AALDH1A1
SCHEMBL9657945 0.88 ABCB11 (0.47) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9659062 0.84 SLC2A1 (0.43) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL9629325 0.82 ABCB11 (0.42) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9628176 0.81 ABCB11 (0.56) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9657605 0.81 ABCB11 (0.39) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9660000 0.81 ABCB11 (0.44) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9658326 0.80 ABCB11 (0.55) ABCB11LMNAMEN1KMT2ACYP1A2
SCHEMBL9628108 0.79 ABCB11 (0.46) ABCB11LMNAMEN1KMT2ACYP1A2

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 6 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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed