SCHEMBL7789688

SCHEMBL7789688

O=C1N(Cc2ccccc2)CC(C(=O)O)(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRM1 P35372 4/20 0.47
OPRL1 P41146 3/20 0.47
AMPD2 Q01433 2/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
RIPK1 Q13546 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
HPGD P15428 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
SCHEMBL6049149 0.71 ALDH1A1 (0.50) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL8882974 0.71 KMT2A (0.46) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL28141258 0.69 CYP2C19 (0.42) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL16416392 0.69 KMT2A (0.76) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL29450073 0.69 KMT2A (0.76) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL9233093 0.69 L3MBTL1 (0.49) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL7212684 0.68 LIPG (0.54) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL371723 0.67 GAA (0.56) KMT2ACYP2D6OPRL1MEN1GAA
SCHEMBL6283961 0.67 CYP2D6 (1.00) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL31581689 0.67 S1PR5 (0.59) KMT2APOLBCYP2D6CYP2C9CYP2C19

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
JP-2001081078-A PRODUCTION OF CYCLIC ACID F HOFFMANN LA ROCHE AG 2001-03-27 JP disclosed