SCHEMBL9502083

SCHEMBL9502083

CC(C)CCCc1cc(C(C)(C)C)cc(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CYP2C19 P33261 2/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RXRB P28702 1/20 0.35
HMGB1 P09429 2/20 0.34
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
PTPN6 P29350 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL5885039 0.95 AKR1C2 (0.36) AKR1C2AKR1C1GRIN2DGRIN2AGRIN2B
SCHEMBL5885382 0.95 AKR1C2 (0.36) AKR1C2AKR1C1GRIN2DGRIN2AGRIN2B
Zinc Ion SCHEMBL9500780 0.86 CYP2C19 (0.35) GRIN2DGRIN2AGRIN2BGRIN2CCYP2C19
SCHEMBL214584 0.84 NR5A2 (0.47) AKR1C2AKR1C1CYP2C19NR5A2NR5A1
SCHEMBL5885464 0.83 KAT8 (0.33) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL15524879 0.82 GRIN2D (0.41) AKR1C2AKR1C1GRIN2DGRIN2AGRIN2B
SCHEMBL16418311 0.82 AKR1C2 (0.42) AKR1C2AKR1C1CYP2C19NR5A2NR5A1
SCHEMBL5885053 0.82 CYP3A4 (0.34) AKR1C2AKR1C1GRIN2DGRIN2AGRIN2B
SCHEMBL28366769 0.82 KAT8 (0.47) NR5A2NR5A1HSD17B10KDM4EMCL1
SCHEMBL9323733 0.82 KAT8 (0.47) NR5A2NR5A1HSD17B10KDM4EMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP claimed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP claimed
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP disclosed
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed