SCHEMBL9657137

SCHEMBL9657137

CCCCOC(=O)Oc1cc(OCC)c(OC(=O)OCCCC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.46
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SLC2A1 P11166 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 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
SCHEMBL9659814 0.96 ELANE (0.44) ELANETSHRTDP1L3MBTL1CNR1
SCHEMBL9658432 0.95 LMNA (0.44) ELANETSHRCNR1CNR2SLC2A1
SCHEMBL9657998 0.95 ELANE (0.46) ELANETSHRTDP1L3MBTL1CNR1
SCHEMBL9656624 0.93 ELANE (0.46) ELANETSHRTDP1L3MBTL1CNR1
SCHEMBL9657686 0.92 HTT (0.40) ELANETSHRL3MBTL1CNR1CNR2
SCHEMBL9660585 0.91 LMNA (0.45) ELANETSHRCNR1CNR2SLC2A1
SCHEMBL9660341 0.90 SLC2A1 (0.46) ELANETSHRCNR1CNR2SLC2A1
SCHEMBL9659325 0.89 ELANE (0.44) ELANETSHRTDP1L3MBTL1CNR1
SCHEMBL9658382 0.89 ELANE (0.47) ELANETSHRTDP1L3MBTL1CNR1
SCHEMBL9659086 0.88 SLC2A1 (0.41) TSHRL3MBTL1CNR1CNR2SLC2A1

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