SCHEMBL9658306

SCHEMBL9658306

O=C(Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)OC2CCCCC2)c2ccccc12)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
METAP2 P50579 2/20 0.36
PKM P14618 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
METAP1 P53582 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9656570 0.85 SCN1A (0.39) ALDH1A1RAB9AFABP7FABP5EPHX1
SCHEMBL10641025 0.83 KDM4E (0.44) ALDH1A1FABP7FABP5FAAHMGLL
SCHEMBL1353554 0.82 ALDH1A1 (0.54) ALDH1A1RAB9AFABP7FABP5FAAH
SCHEMBL1787764 0.80 ALDH1A1 (0.51) ALDH1A1RAB9AFABP7FABP5FAAH
SCHEMBL9657648 0.80 MAPT (0.42) ALDH1A1FABP7FABP5EPHX1KDM4E
SCHEMBL9658327 0.77 TP53 (0.38) ALDH1A1FABP7FABP5EPHX1KDM4E
SCHEMBL1788981 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AFABP7FABP5FAAH
SCHEMBL9657082 0.77 MAPT (0.44) ALDH1A1RAB9AKDM4EHPGDHSD17B10
SCHEMBL9657915 0.77 ALDH1A1 (0.69) ALDH1A1RAB9AEPHX1FAAH
SCHEMBL17720727 0.74 FAAH (0.49) ALDH1A1RAB9AFABP7FABP5FAAH

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