SCHEMBL19509985

SCHEMBL19509985

Cc1cc(CCC(=O)O)cc(N)c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
FFAR1 O14842 8/20 0.43
FFAR4 Q5NUL3 3/20 0.42
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
KEAP1 Q14145 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3580792 0.87 NPSR1 (0.55) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL38655010 0.87 KEAP1 (0.48) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL30536049 0.83 KDM4E (0.64) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL1206210 0.79 ACLY (0.48) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL19731254 0.79 GAA (0.57) ALDH1A1LMNAGAAMAPTNPSR1
SCHEMBL11241194 0.78 NPSR1 (0.46) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL10990753 0.78 NPSR1 (0.46) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL18258239 0.77 NPSR1 (0.57) NPSR1THRATHRBFFAR1FFAR4
SCHEMBL7282363 0.77 SKP2 (0.56) NPSR1FFAR1FFAR4KEAP1CA1
SCHEMBL39866 0.77 GAA (0.55) ALDH1A1LMNAGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184564-A1 SENSORS AND SENSOR ARRAYS FOR DETECTION OF ANALYTES ICAGEN, INC. (US) 2017-10-26 WO disclosed