SCHEMBL9660341

SCHEMBL9660341

CCCCCCOC(=O)Oc1cc(OCC)c(OCC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.46
LMNA P02545 4/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
ELANE P08246 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL9658432 0.95 LMNA (0.44) SLC2A1LMNATSHRALDH1A1CNR2
SCHEMBL9657998 0.95 ELANE (0.46) SLC2A1TSHRALDH1A1CNR2CNR1
SCHEMBL9660585 0.92 LMNA (0.45) SLC2A1LMNATSHRALDH1A1CNR2
SCHEMBL9657137 0.90 ELANE (0.46) SLC2A1LMNATSHRALDH1A1CNR2
SCHEMBL9658003 0.90 SLC2A1 (0.44) SLC2A1LMNATSHRALDH1A1CNR2
SCHEMBL9659358 0.88 SLC2A1 (0.46) SLC2A1LMNACNR2CNR1CYP3A4
SCHEMBL9654875 0.88 CNR1 (0.45) LMNATSHRALDH1A1CNR2CNR1
SCHEMBL9659814 0.86 ELANE (0.44) SLC2A1LMNATSHRALDH1A1CNR2
SCHEMBL9658065 0.86 SLC2A1 (0.46) SLC2A1LMNATSHRALDH1A1MAPT
SCHEMBL9659395 0.85 ELANE (0.46) SLC2A1TSHRALDH1A1CNR2CNR1

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