SCHEMBL11558044

SCHEMBL11558044

CCCCCCCCCCCCCCOc1ccc(C(=O)OCC)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 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
SCHEMBL11554831 1.00 MEN1 (0.71) MEN1KMT2ATDP1HDAC4HDAC6
SCHEMBL18013744 0.93 TDP1 (0.73) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL19821665 0.87 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL991809 0.87 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL992355 0.87 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL18256284 0.87 MEN1 (0.66) MEN1KMT2ATDP1HDAC4HDAC6
SCHEMBL11563597 0.87 MEN1 (0.73) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL991850 0.87 MEN1 (0.73) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL19821452 0.86 MEN1 (0.64) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL11556689 0.85 TDP1 (0.67) MEN1KMT2ATDP1HDAC6ALDH1A1

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-4110351-A Hypolipidemic agents RO- or RS- substituted furoic acids, esters and salts RICHARDSON-MERRELL INC. (US) 1978-08-29 — — US claimed
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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