SCHEMBL25008046

SCHEMBL25008046

C/C=C(\C)C(=O)NCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
ALDH1A1 P00352 3/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
HPGD P15428 1/20 0.61
PLAAT5 Q96KN8 8/20 0.60
PLAAT4 Q9UL19 8/20 0.60
PLAAT3 P53816 7/20 0.57
PLAAT2 Q9NWW9 7/20 0.57
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
EPHX1 P07099 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CA1 P00915 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL10163215 0.87 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL22412530 0.83 PLAAT5 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9APLAAT5
SCHEMBL1027805 0.82 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL7858 0.80 KDM4E (0.69) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4831685 0.80 PLAAT5 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APLAAT5
SCHEMBL22145183 0.79 PLAAT5 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL1197319 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL6175376 0.79 CYP1A2 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL31736052 0.78 KDM4E (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3379087 0.78 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed