SCHEMBL10417831

SCHEMBL10417831

O=C(O)/C=C/C(=O)OCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.62
▸ ALDH1A1 P00352 7/20 0.53
▸ TSHR P16473 6/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 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
SCHEMBL7640224 1.00 HCAR2 (0.62) HCAR2ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL10894107 0.96 HCAR2 (0.57) HCAR2ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL10942733 0.88 ALDH1A1 (0.53) HCAR2ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL9331315 0.86 TSHR (0.54) HCAR2ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3302489 0.85 ALDH1A1 (0.69) ALDH1A1TSHRL3MBTL1KDM4ETDP1
SCHEMBL28492073 0.83 ALDH1A1 (0.67) ALDH1A1TSHRL3MBTL1KDM4ETDP1
SCHEMBL30198617 0.83 THRB (0.59) ALDH1A1TSHRL3MBTL1KDM4ETDP1
SCHEMBL67527 0.83 THRB (0.59) ALDH1A1TSHRL3MBTL1KDM4ETDP1
SCHEMBL8944715 0.81 ALDH1A1 (0.47) HCAR2ALDH1A1TSHRL3MBTL1KDM4E
Phthalic Acid SCHEMBL11481694 0.81 HCAR2 (0.67) HCAR2ALDH1A1TSHRKDM4EMAPT

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-4925904-A GELATION INHIBITION WITH PHENOTHIAZINE; SHELF LIFE HILTI AKTIENGESELLSCHAFT (LI) 1990-05-15 — — US disclosed
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