SCHEMBL9870221

SCHEMBL9870221

CCCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
AKR1C2 P52895 4/20 0.35
AKR1C1 Q04828 4/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33
RARG P13631 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32

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
SCHEMBL10662094 0.98 NR5A2 (0.41) NR5A2NR5A1HMGB1CXCL12AKR1C2
SCHEMBL1129615 0.90 NR5A2 (0.45) NR5A2NR5A1CNR1CNR2
SCHEMBL3008817 0.88 CNR2 (0.46) NR5A2NR5A1CNR1CNR2
SCHEMBL3015095 0.88 CNR2 (0.46) NR5A2NR5A1CNR1CNR2
Zinc Ion SCHEMBL10662090 0.85 NR5A2 (0.40) NR5A2NR5A1CNR1CNR2ESR1
SCHEMBL7782928 0.84 RXRA (0.43) NR5A2NR5A1HMGB1CXCL12AKR1C2
SCHEMBL10410122 0.84 HSD17B10 (0.39) NR5A2NR5A1HMGB1CXCL12AKR1C2
SCHEMBL1835827 0.83 CNR2 (0.38) NR5A2NR5A1ALDH1A1CNR1CNR2
SCHEMBL9166132 0.83 RXRA (0.42) NR5A2NR5A1HMGB1CXCL12AKR1C2
SCHEMBL9615358 0.81 NR5A2 (0.52) NR5A2NR5A1AKR1C2AKR1C1RXRA

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-5071986-A For pressure or heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-5004813-A Produce intense, lightfast colors for pressure or heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed
US-4876357-A FOR PRESSURE AND HEAT SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed