SCHEMBL25005379

SCHEMBL25005379

CNC(=O)OCc1ccc(C=O)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
STAT1 P42224 1/20 0.38
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL51038 0.82 ALDH1A1 (0.55) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL27999386 0.79 ALDH1A1 (0.51) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL697079 0.79 ALDH1A1 (0.51) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL4898922 0.79 ALDH1A1 (0.55) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL11987589 0.79 ALDH1A1 (0.55) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL23521361 0.78 FAAH (0.47) ALDH1A1TSHR
SCHEMBL18460850 0.78 SMN1; SMN2 (0.38) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL17485840 0.78 SMN1; SMN2 (0.38) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL14118840 0.77 ALDH1A1 (0.49) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL16076545 0.77 ALDH1A1 (0.49) ALDH1A1TSHRNPC1MAPTRAB9A

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-20230044535-A1 POLYIMINES AND USES THEREOF BOSTIK SA (FR) 2023-02-09 US disclosed