SCHEMBL7768653

SCHEMBL7768653

CC(C)Cc1cc2cccc(C(=O)O)c2c(C(=O)O)c1CC(C)C.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
GSK3B P49841 1/20 0.36
ALOX5AP P20292 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL3129282 0.87 HSD17B10 (0.40) DHODHHSD17B10LMNAMEN1ALDH1A1
SCHEMBL1079659 0.79 HSD17B10 (0.45) DHODHHSD17B10MEN1ALDH1A1HPGD
SCHEMBL8769587 0.78 ALDH1A1 (0.53) DHODHHSD17B10LMNAMEN1ALDH1A1
SCHEMBL14989311 0.75 AKR1C2 (0.38) DHODHLMNAMEN1ALDH1A1HPGD
SCHEMBL2815958 0.74 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1HPGDKMT2A
SCHEMBL9682139 0.74 BID (0.44) HSD17B10GABRA1GABRB2
SCHEMBL361119 0.74 GABRA1 (0.50) HSD17B10LMNAMEN1ALDH1A1HPGD
SCHEMBL901261 0.74 GABRA1 (0.50) DHODHHSD17B10LMNAMEN1ALDH1A1
Phthalic Acid SCHEMBL31462355 0.73 ALDH1A1 (0.44) DHODHHSD17B10LMNAMEN1ALDH1A1
Phthalic Acid SCHEMBL29113646 0.73 ALDH1A1 (0.44) DHODHHSD17B10LMNAMEN1ALDH1A1

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
EP-0745651-B1 AQUEOUS INK FOR INK JET RECORDING SEIKO EPSON CORP (JP) 2001-07-11 EP disclosed
US-5690721-A OF A WATER INSOLUBLE COLORANT, A WATER SOLUBLE SOLVENT AND WATER SEIKO EPSON CORPORATION (JP) 1997-11-25 US disclosed
EP-0745651-A1 AQUEOUS INK FOR INK JET RECORDING SEIKO EPSON CORPORATION (JP) 1996-12-04 EP disclosed