SCHEMBL8870697

SCHEMBL8870697

Cc1ccccc1C=NCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
NR1I2 O75469 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
SCHEMBL12643730 0.84 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL8870633 0.84 RAB9A (0.46) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL8870630 0.84 RAB9A (0.46) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL28360399 0.83 LMNA (0.49) ALDH1A1LMNAHTTHPGDL3MBTL1
SCHEMBL13925582 0.82 USP2 (0.49) ALDH1A1LMNAHTTHPGDL3MBTL1
SCHEMBL548010 0.82 MTNR1A (0.43) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL28303700 0.82 NLRP3 (0.35) LMNAHPGDMEN1KMT2AUSP2
SCHEMBL8871572 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHTTHPGDL3MBTL1
SCHEMBL8871574 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHTTHPGDL3MBTL1
SCHEMBL6118230 0.80 MAPT (0.41) LMNASMN1; SMN2MEN1KMT2AKDM4E

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed