SCHEMBL4008767

SCHEMBL4008767

Cc1cccc(C(C)c2nccn2CCC(C)CC(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 3/20 0.38
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.35
FPR2 P25090 2/20 0.34
CTSA P10619 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4014276 0.84 SMN1; SMN2 (0.51) SMN1; SMN2FFAR1ESR1KMT2AFPR2
SCHEMBL4007502 0.83 SMN1; SMN2 (0.50) SMN1; SMN2FFAR1ESR1KMT2AFPR2
SCHEMBL4009094 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL697680 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL698417 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL1573152 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL1573428 0.79 APAF1 (0.42) SMN1; SMN2KMT2AFPR2ALDH1A1MAPT
SCHEMBL696323 0.78 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1KMT2AFPR2ALDH1A1
SCHEMBL698793 0.78 KMT2A (0.50) KMT2AALDH1A1MAPT
SCHEMBL698574 0.78 KMT2A (0.50) KMT2AALDH1A1MAPT

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-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed