SCHEMBL9656404

SCHEMBL9656404

CCOc1c(OCC)c(OC(=O)Oc2ccccc2)c2ccccc2c1OC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LTA4H P09960 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 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
SCHEMBL9656721 0.88 KMT2A (0.44) PTGER4CYP1A2MAPTALDH1A1KMT2A
SCHEMBL9660468 0.84 TSHR (0.42) MAPTALDH1A1KMT2APPARGNCOA2
SCHEMBL9656999 0.83 TSHR (0.41) MAPTALDH1A1KMT2APPARGNCOA2
SCHEMBL9660550 0.83 SLC2A1 (0.44) PTGER4CYP1A2CYP2D6MAPTALDH1A1
SCHEMBL9656724 0.81 KDM4E (0.51) CYP1A2MAPTALDH1A1KMT2APPARG
SCHEMBL5706171 0.81 LTA4H (0.62) CYP1A2CYP2D6LTA4HMAPTKMT2A
SCHEMBL9658198 0.80 ALDH1A1 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL9641997 0.80 KDM4E (0.51) PTGER4CYP1A2CYP2D6MAPTALDH1A1
SCHEMBL9657082 0.80 MAPT (0.44) CYP1A2LTA4HMAPTALDH1A1KMT2A
SCHEMBL9658456 0.79 ALDH1A1 (0.45) PTGER4CYP1A2CYP2D6MAPTALDH1A1

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