SCHEMBL7712340

SCHEMBL7712340

CCCCCCCCCCCCCCCCc1c(C(=O)O)ccc([N+](=O)[O-])c1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
RARB P10826 3/20 0.39
PLA2G4B P0C869 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
HCAR3 P49019 1/20 0.37
TSHR P16473 1/20 0.37
KAT8 Q9H7Z6 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 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
SCHEMBL7706078 0.85 ALDH1A1 (0.41) HCAR3TSHRALDH1A1GAAHPGD
SCHEMBL16392499 0.81 AKR1C3 (0.45) PLA2G4BAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7709910 0.81 PPARA (0.43) PPARAPPARGRARBPLK1PLK3
SCHEMBL17795680 0.78 ALDH1A1 (0.46) AKR1C3AKR1C2AKR1C1HCAR3TSHR
SCHEMBL16369648 0.76 ALDH1A1 (0.44) AKR1C3AKR1C2AKR1C1HCAR3TSHR
SCHEMBL16737176 0.75 TSHR (0.42) PPARAPPARGRARBPLK1PLK3
SCHEMBL19601397 0.75 TSHR (0.44) AKR1C3AKR1C2AKR1C1TSHRALDH1A1
SCHEMBL7712502 0.74 PLK1 (0.38) PPARAPPARGRARBPLK1PLK3
SCHEMBL14836443 0.73 PPARA (0.60) PPARAPPARGRARBPLK1PLK3
SCHEMBL6864045 0.73 PPARA (0.60) PPARAPPARGRARBPLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217435-A1 Silver halide photographic element and imaging process EASTMAN KODAK COMPANY (US) 2002-06-26 EP disclosed
US-6361931-B1 REACTIVITY, STABILITY EASTMAN KODAK COMPANY 2002-03-26 US disclosed