SCHEMBL9654875

SCHEMBL9654875

CCCCCCOC(=O)Oc1cc(OCCC)c(OC(=O)OCCCCCC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
ELANE P08246 3/20 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
SCHEMBL9656624 0.95 ELANE (0.46) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9658432 0.93 LMNA (0.44) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9659325 0.91 ELANE (0.44) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9657067 0.91 CNR1 (0.43) CNR1CNR2LMNAALDH1A1MAPT
SCHEMBL9659395 0.90 ELANE (0.46) CNR1CNR2TSHRALDH1A1CYP3A4
SCHEMBL9660585 0.89 LMNA (0.45) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9654743 0.89 TSHR (0.45) LMNATSHRALDH1A1CYP3A4ELANE
SCHEMBL9660341 0.88 SLC2A1 (0.46) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9657137 0.88 ELANE (0.46) CNR1CNR2LMNATSHRALDH1A1
SCHEMBL9659432 0.87 CNR1 (0.44) CNR1CNR2LMNAALDH1A1MEN1

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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed