SCHEMBL10520661

SCHEMBL10520661

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PTPN1 P18031 7/20 0.47
▸ PTPN2 P17706 2/20 0.47
▸ PTPN6 P29350 2/20 0.47
▸ HMGB1 P09429 2/20 0.41
▸ CXCL12 P48061 2/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ HSPA5 P11021 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RARG P13631 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL9652680 0.89 PTPN1 (0.61) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL10519864 0.86 HSD17B10 (0.50) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL10519870 0.84 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL8081713 0.83 HMGB1 (0.54) ALDH1A1HPGDHSD17B10PTPN1HMGB1
SCHEMBL11762043 0.83 HMGB1 (0.39) ALDH1A1HPGDHSD17B10PTPN1HMGB1
SCHEMBL7782928 0.82 RXRA (0.43) ALDH1A1HPGDHSD17B10PTPN1HMGB1
SCHEMBL9166132 0.81 RXRA (0.42) ALDH1A1HPGDHSD17B10PTPN1HMGB1
SCHEMBL9247102 0.81 AKR1C2 (0.52) ALDH1A1HPGDHSD17B10HMGB1CXCL12
SCHEMBL10463840 0.80 HIF1A (0.44) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL5885464 0.79 KAT8 (0.33) ALDH1A1HPGDHSD17B10HMGB1RXRA

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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