SCHEMBL11563597

SCHEMBL11563597

CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)o1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ HTT P42858 3/20 0.53
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.42

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
SCHEMBL991850 1.00 MEN1 (0.73) MEN1KMT2ATDP1HTTNPC1
SCHEMBL18013744 0.88 TDP1 (0.73) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL11558044 0.87 MEN1 (0.71) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL11554831 0.87 MEN1 (0.71) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL10668802 0.86 MEN1 (0.79) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL10667435 0.86 MEN1 (0.79) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL11561346 0.84 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422505 0.84 MEN1 (0.77) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL9060429 0.84 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL992112 0.84 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4146623-A SUBSTITUTED FUROIC ACIDS AND ESTERS RICHARDSON-MERRELL INC. (US) 1979-03-27 — — US disclosed
US-4110351-A Hypolipidemic agents RO- or RS- substituted furoic acids, esters and salts RICHARDSON-MERRELL INC. (US) 1978-08-29 — — US disclosed
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