SCHEMBL5885382

SCHEMBL5885382

CC(C)CCCCCCCCCc1cc(C(C)(C)C)cc(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
CYP2C19 P33261 1/20 0.35
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
GRIN2C Q14957 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RXRB P28702 1/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARA Q07869 1/20 0.33
HMGB1 P09429 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 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
SCHEMBL5885039 1.00 AKR1C2 (0.36) AKR1C2AKR1C1CYP2C19NR5A2NR5A1
SCHEMBL9502083 0.95 AKR1C2 (0.38) AKR1C2AKR1C1CYP2C19NR5A2NR5A1
SCHEMBL5885464 0.89 KAT8 (0.33) GRIN2CALDH1A1HPGDHSD17B10GRIN2D
SCHEMBL5885053 0.88 CYP3A4 (0.34) AKR1C2AKR1C1GRIN2CALDH1A1HPGD
SCHEMBL8461746 0.87 FUT7 (0.34) CYP2C19NR5A2NR5A1
Potassium Ion SCHEMBL8463801 0.87 CYP2C19 (0.33) CYP2C19NR5A2NR5A1
SCHEMBL8462353 0.87 FUT7 (0.34) CYP2C19NR5A2NR5A1
Zinc Ion SCHEMBL8464744 0.87 CYP2C19 (0.33) CYP2C19NR5A2NR5A1
Potassium Ion SCHEMBL8461114 0.87 CYP2C19 (0.33) CYP2C19NR5A2NR5A1
Zinc Ion SCHEMBL8461982 0.87 CYP2C19 (0.33) CYP2C19NR5A2NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6986979-B2 Microcapsule composition EASTMAN KODAK COMPANY (US) 2006-01-17 US disclosed
WO-2005073808-A2 PROCESS OF PRODUCING MICROCAPSULES AND PRODUCT THEREOF EASTMAN KODAK COMPANY (US) 2005-08-11 WO disclosed
WO-2005073805-A2 COMPOSITION COMPRISING MICROCAPSULES EASTMAN KODAK COMPANY (US) 2005-08-11 WO disclosed
US-20050164116-A1 Microcapsule composition EASTMAN KODAK COMPANY 2005-07-28 US disclosed
US-20050161843-A1 Process of producing microcapsules and product thereof EASTMAN KODAK COMPANY 2005-07-28 US disclosed
US-20050084790-A1 Color developer composition and imaging element containing same EASTMAN KODAK COMPANY 2005-04-21 US disclosed
EP-1052112-B1 Color developer composition, aqueous dispersion, recording sheet and color developing ink MITSUI CHEMICALS INC (JP) 2004-02-04 EP disclosed
US-6383982-B1 DYE DEVELOPERS FOR COLORING, METAL SALICYLATE AND POLYESTER POLYOLS WITH CARBONATE OR ESTER MITSUI CHEMICALS, INC. (JP) 2002-05-07 US disclosed
EP-1052112-A2 Color developer composition, aqueous dispersion, recording sheet and color developing ink Mitsui Chemicals, Inc. (JP) 2000-11-15 EP disclosed