SCHEMBL7348679

SCHEMBL7348679

NC(C(=O)O)(c1ccc(C(=O)O)cc1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
CYP1A2 P05177 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C19 P33261 1/20 0.64
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
SRD5A2 P31213 4/20 0.42
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL29434852 0.78 CYP1A2 (1.00) MEN1CYP1A2KMT2ACYP2C19CA2
SCHEMBL7370655 0.78 CYP1A2 (1.00) MEN1CYP1A2KMT2ACYP2C19CA2
SCHEMBL13038637 0.78 MEN1 (0.59) MEN1CYP1A2KMT2ACYP2C19
SCHEMBL2451041 0.76 CYP1A2 (0.57) MEN1CYP1A2KMT2ACYP2C19GRM1
SCHEMBL2451043 0.76 CYP1A2 (0.57) MEN1CYP1A2KMT2ACYP2C19GRM1
SCHEMBL25205790 0.74 SRD5A2 (0.53) MEN1CYP1A2KMT2ATSHRTP53
SCHEMBL21112142 0.71 MEN1 (0.51) MEN1CYP1A2KMT2ACYP2C19KIF11
SCHEMBL21112143 0.71 MEN1 (0.51) MEN1CYP1A2KMT2ACYP2C19KIF11
SCHEMBL13956160 0.71 KCNN4 (0.61) MEN1CYP1A2KMT2AGRM5GRM1
SCHEMBL28645834 0.70 KMT2A (0.50) MEN1CYP1A2KMT2ACYP2C19KIF11

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-1997021715-A1 ALPHA-CYCLOPROPYL-SUBSTITUTED PHENYLGLYCINES AS CNS AGENTS UNIVERSITY OF BRISTOL (GB) 1997-06-19 WO disclosed