SCHEMBL30069220

SCHEMBL30069220

CCCC(C)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ GRM8 O00222 1/20 0.50
▸ GRM6 O15303 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ GRM4 Q14833 1/20 0.50
▸ ALDH1A1 P00352 8/20 0.46
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ SORT1 Q99523 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL15004741 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL13205997 0.87 ALDH1A1 (0.53) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1355525 0.86 HSD17B10 (0.53) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL19374907 0.85 TSHR (0.47) TDP1MEN1KMT2AALDH1A1AKR1C2
SCHEMBL19374822 0.83 PPARG (0.51) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13205998 0.81 CFD (0.55) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1098812 0.79 CYP2C9 (0.50) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL6444436 0.78 KDM4E (0.40) TDP1MEN1KMT2ADRD3ALDH1A1
SCHEMBL31473042 0.78 HSD17B10 (0.56) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL254345 0.78 HSD17B10 (0.56) HSD17B10TDP1MEN1KMT2ACYP2C9

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-11498049-B2 Process for producing a calcium phosphate reactant, reactant obtained and use thereof in the purification of liquid effluents SOLVAY SA (BE) 2022-11-15 — — US disclosed
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