SCHEMBL8747693

SCHEMBL8747693

CCCCc1ccc2c(Cc3c(O)c(C(=O)O)cc4cc(CCCC)ccc34)c(O)c(C(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GPR35 Q9HC97 1/20 0.56
KAT8 Q9H7Z6 2/20 0.50
PPARA Q07869 2/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
DHODH Q02127 1/20 0.44
METAP2 P50579 1/20 0.44
PPARG P37231 1/20 0.44
RARB P10826 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40

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
SCHEMBL8747612 0.92 GPR35 (0.58) POLBGPR35KAT8PPARAAKR1C2
SCHEMBL8747607 0.86 GPR35 (0.61) POLBGPR35AKR1C2ME2ME1
SCHEMBL4873995 0.80 KAT8 (0.48) KAT8PPARAAKR1C2AKR1C1DHODH
SCHEMBL27661495 0.78 KAT8 (0.55) KAT8PPARAAKR1C2AKR1C1PPARG
SCHEMBL8747621 0.77 GPR35 (0.65) POLBGPR35AKR1C2AKR1C1ME2
SCHEMBL11126607 0.77 GPR35 (0.68) POLBGPR35AKR1C2AKR1C1ME2
SCHEMBL7597467 0.76 KAT8 (0.53) KAT8PPARADHODHPPARGRARB
SCHEMBL6010055 0.76 GPR35 (0.67) POLBGPR35ME2ME1ME3
SCHEMBL7594955 0.75 KAT8 (0.56) KAT8PPARADHODHPPARGRARB
SCHEMBL7600185 0.75 KAT8 (0.56) KAT8PPARADHODHPPARGRARB

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-0490370-B1 Electrostatic image-developing toner MITSUBISHI CHEM CORP (JP) 1997-03-12 EP disclosed
US-5200288-A Mixture of resin, colorant and additive having constant changeability MITSUBISHI KASEI CORPORATION (JP) 1993-04-06 US disclosed
EP-0490370-A1 Electrostatic image-developing toner Mitsubishi Chemical Corporation (JP) 1992-06-17 EP disclosed