SCHEMBL10519864

SCHEMBL10519864

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(C(=O)O)c2O)c(O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PTPN1 P18031 7/20 0.46
▸ PTPN2 P17706 2/20 0.46
▸ PTPN6 P29350 2/20 0.46
▸ CYP3A4 P08684 4/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL10463840 0.93 HIF1A (0.44) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL9252807 0.89 PTPN1 (0.59) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL1374911 0.88 PTPN1 (0.47) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL10463907 0.86 CYP3A4 (0.48) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL10520661 0.86 ALDH1A1 (0.51) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL10464426 0.85 CYP3A4 (0.50) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL10464422 0.85 HMGB1 (0.47) HSD17B10ALDH1A1HPGDPTPN1PTPN2
SCHEMBL11758727 0.84 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDPTPN1CYP3A4
SCHEMBL1129773 0.84 HMGB1 (0.53) HSD17B10ALDH1A1HPGDPTPN1CYP3A4
SCHEMBL1129614 0.83 SHBG (0.41) HSD17B10ALDH1A1HPGDPTPN1CYP3A4

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
JP-1255582-A — — None — — JP disclosed
JP-H01255582-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1989-10-12 — — JP disclosed
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