SCHEMBL9628047

SCHEMBL9628047

COc1cc(OC)c2cc(-c3ccccc3)ccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.48
ABCC1 P33527 4/20 0.46
CHEK1 O14757 1/20 0.45
FGFR1 P11362 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
KDR P35968 1/20 0.45
IDO1 P14902 1/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 2/20 0.43
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL9658181 0.89 ABCC1 (0.48) TDO2ABCC1CHEK1FGFR1CDK4
SCHEMBL9628456 0.87 ABCC1 (0.45) ABCC1ABCB1MAPTMEN1POLB
SCHEMBL8922452 0.80 CDK4 (0.51) TDO2ABCC1CHEK1FGFR1CDK4
SCHEMBL9627412 0.80 EP300 (0.48) IDO1HPGDALDH1A1CYP3A4MAPT
SCHEMBL9629506 0.80 ADORA1 (0.47) CHEK1HPGDALDH1A1MAPTMEN1
SCHEMBL9656557 0.79 PDE4B (0.50) TDO2CHEK1FGFR1CDK4CCNA2
Aucuparin SCHEMBL11223391 0.76 SMPD3 (0.57) ABCC1ERN1MAPTMEN1POLB
SCHEMBL9971889 0.76 ALOX5 (0.54) HPGDALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL30966839 0.74 PDE4B (0.62) TDO2ABCC1IDO1MAPTBACE1
SCHEMBL9657676 0.74 PDE4B (0.45) TDO2CHEK1FGFR1CDK4CCNA2

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-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