SCHEMBL11336367

SCHEMBL11336367

CCCOc1ccc(OCCC)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAOB P27338 2/20 0.45
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
PPARG P37231 2/20 0.45
KAT6A Q92794 1/20 0.45
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL11330584 0.95 L3MBTL1 (0.65) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL23504466 0.86 ABCB1 (0.50) MAOBRAB9A
SCHEMBL11421173 0.85 ALDH1A1 (0.65) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL11331647 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1TSHRMAPT
SCHEMBL15127666 0.82 ALDH1A1 (0.62) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL16787357 0.82 TSHR (0.62) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL15127643 0.82 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL1488776 0.82 MEN1 (0.63) L3MBTL1ALDH1A1KMT2AMEN1HSP90AA1
SCHEMBL1646579 0.82 LRRK2 (0.57) ALDH1A1MAPTRAB9APOLB
SCHEMBL9702617 0.82 PTPN11 (0.48) L3MBTL1MAPTTP53KMT2APTGES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4276430-A FOR TOPICAL APPLICATION AND SYSTEMIC ADMINISTRATION; ESTERS OF DIHYDROXYBENZOIC ACID THE PROCTER & GAMBLE COMPANY (US) 1981-06-30 US disclosed