SCHEMBL10795237

SCHEMBL10795237

CCCOc1cccc(N)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.45
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6467474 0.92 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19KMT2ACA9
SCHEMBL9712657 0.88 KMT2A (0.57) KMT2ACA9CA12CA1CA2
SCHEMBL11453393 0.87 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19KMT2AGAA
SCHEMBL6469761 0.87 ALDH1A1 (0.56) GAACA9CA12CA1CA2
SCHEMBL1558023 0.83 KDM4E (0.52) GAACA9CA12CA1CA2
SCHEMBL27051701 0.82 KMT2A (0.47) KMT2ACA9CA12CA1CA2
SCHEMBL2552794 0.82 KMT2A (0.51) KMT2ACA9CA12CA1CA2
SCHEMBL13607858 0.82 CA12 (0.70) KMT2ACA9CA12CA1CA2
SCHEMBL4959462 0.82 PTPN1 (0.55) KMT2ACA9CA12CA1CA2
SCHEMBL20504730 0.81 PTPN1 (0.54) KMT2ACA9CA12CA1CA2

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
US-4642240-A LOW CALORIE SWEETENERS GENERAL FOODS CORPORATION (US) 1987-02-10 US disclosed