SCHEMBL9657648

SCHEMBL9657648

CCOc1c(OCC)c(OC(=O)OC2CCCCC2)c2ccccc2c1OC(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EPHX1 P07099 1/20 0.38
PTGER4 P35408 1/20 0.38
FABP7 O15540 1/20 0.37

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
SCHEMBL9658327 0.90 TP53 (0.38) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9656815 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL10641025 0.85 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9658306 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9657075 0.78 TP53 (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL9656686 0.77 RAB9A (0.56) SMN1; SMN2ALDH1A1HPGDLMNAGAA
SCHEMBL9657774 0.76 ABCB11 (0.41) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9656506 0.75 TUBB4A (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9656404 0.74 PTGER4 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9641997 0.73 KDM4E (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10

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