SCHEMBL7706078

SCHEMBL7706078

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
FBP1 P09467 5/20 0.40
TSHR P16473 2/20 0.39
DTYMK P23919 1/20 0.38
HCAR3 P49019 2/20 0.38
PDK1 Q15118 1/20 0.38
EP300 Q09472 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP6 P55212 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
SCHEMBL7712340 0.85 PPARA (0.40) ALDH1A1TSHRHCAR3GAAHPGD
SCHEMBL17795680 0.84 ALDH1A1 (0.46) ALDH1A1TSHRDTYMKHCAR3PDK1
SCHEMBL16369648 0.82 ALDH1A1 (0.44) ALDH1A1TSHRDTYMKHCAR3PDK1
SCHEMBL19601397 0.81 TSHR (0.44) ALDH1A1TSHRDTYMKPDK1TDP1
SCHEMBL16392499 0.80 AKR1C3 (0.45) ALDH1A1EP300HIF1AKDM4ETDP1
SCHEMBL7712104 0.77 TSHR (0.45) ALDH1A1FBP1TSHRDTYMKHCAR3
SCHEMBL16369625 0.76 CTSV (0.48) TDP1
SCHEMBL20764495 0.76 TSHR (0.37) ALDH1A1TSHRDTYMKHCAR3PDK1
SCHEMBL23539368 0.76 TSHR (0.44) ALDH1A1FBP1TSHRDTYMKHCAR3
SCHEMBL7594797 0.76 TSHR (0.44) ALDH1A1FBP1TSHRDTYMKHCAR3

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