SCHEMBL9251401

SCHEMBL9251401

CCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
ATIC P31939 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 4/20 0.36
PTPN2 P17706 3/20 0.36

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
SCHEMBL9652108 0.89 NR5A2 (0.41) CYP2C9NPC1RAB9APOLBNR5A2
SCHEMBL5143831 0.88 SHBG (0.38) CYP2C9POLBNR5A2NR5A1HMGB1
SCHEMBL1129729 0.87 ESR1 (0.46) CYP2C9NR5A2NR5A1HMGB1CXCL12
SCHEMBL5143833 0.86 NR5A2 (0.43) NR5A2NR5A1
SCHEMBL9615388 0.85 NR5A2 (0.45) CYP2C9NR5A2NR5A1CYP3A4ALDH1A1
SCHEMBL7084776 0.85 ESR1 (0.44) CYP2C9NR5A2NR5A1HMGB1CXCL12
Water SCHEMBL9852464 0.85 ESR1 (0.44) CYP2C9NR5A2NR5A1HMGB1CXCL12
SCHEMBL7782928 0.85 RXRA (0.43) CYP2C9NPC1RAB9APOLBNR5A2
Water SCHEMBL9852463 0.84 ESR1 (0.43) CYP2C9NR5A2NR5A1HMGB1CXCL12
SCHEMBL9166132 0.84 RXRA (0.42) CYP2C9NPC1RAB9APOLBNR5A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5141557-A Mixture of benzoic acid salt, anionic surfactant, and novolak phenolic resin BROTHER KOGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 US disclosed
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed