SCHEMBL16704331

SCHEMBL16704331

C=C(C)C(=O)Nc1cccc2c(O)c(C(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
BTK Q06187 2/20 0.41
CDC25B P30305 3/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL8906402 0.85 KMT2A (0.48) LDHAHSD17B10HPGDKDM4EALDH1A1
SCHEMBL10040411 0.84 TDP1 (0.42) ALDH1A1BTKTDP1MEN1KMT2A
SCHEMBL2350642 0.84 KDM4E (0.54) HSD17B10HPGDKDM4EALDH1A1CYP2C9
SCHEMBL11737076 0.83 TDP1 (0.51) HPGDKDM4EALDH1A1BTKCYP2C9
SCHEMBL9359137 0.79 TRPV1 (0.52) KDM4EALDH1A1CDC25BTDP1MEN1
SCHEMBL11998907 0.79 BTK (0.46) HPGDALDH1A1BTKCYP2C9TDP1
SCHEMBL13588221 0.77 NPC1 (0.52) HPGDKDM4EALDH1A1BTKTDP1
SCHEMBL17084522 0.77 RXFP1 (0.53) HPGDKDM4EALDH1A1TDP1MEN1
SCHEMBL10957416 0.76 ALDH1A1 (0.51) LDHAHSD17B10HPGDKDM4EALDH1A1
SCHEMBL14557451 0.76 MAPT (0.48) LDHAHSD17B10HPGDKDM4EALDH1A1

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
US-9029066-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2015-05-12 US disclosed
US-9029066-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2015-05-12 US disclosed