SCHEMBL18322326

SCHEMBL18322326

NN(C(=O)c1ccc(CNC(=O)O)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC6 Q9UBN7 9/20 0.45
HDAC1 Q13547 8/20 0.45
PPIB P23284 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL10949416 0.82 NPSR1 (0.50) SMN1; SMN2MAPTHTTNPSR1KMT2A
SCHEMBL4936106 0.82 HDAC1 (0.51) HDAC6HDAC1EPHX2NR1H4HDAC10
SCHEMBL5611501 0.81 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31494698 0.80 ALDH1A1 (0.52) HDAC6HDAC1SMN1; SMN2MAPTKMT2A
SCHEMBL407836 0.78 L3MBTL1 (0.50) TSHRCYP2C19SMN1; SMN2LMNAMAPT
SCHEMBL11254594 0.77 CES2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6077891 0.77 LMNA (0.46) HDAC6HDAC1PPIBSMN1; SMN2EPHX2
Hydrochloric Acid SCHEMBL8355067 0.76 ADRA2C (0.49) TSHRCYP2C19SMN1; SMN2LMNAMAPT
SCHEMBL4878707 0.76 L3MBTL1 (0.47) HDAC6SMN1; SMN2HDAC8LMNAMAPK14
Hydrochloric Acid SCHEMBL11834225 0.76 CES2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA

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-2016205566-A1 FZD7 SPECIFIC ANTIBODIES AND VACCINES TO TREAT CANCER AND CONTROL STEM CELL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-22 WO disclosed