SCHEMBL25930430

SCHEMBL25930430

CCCc1cc(N2CCC(C(OC)OC)CC2)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
PKM P14618 1/20 0.33
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
LGMN Q99538 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE3B Q13370 1/20 0.31

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
SCHEMBL29927711 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APOLBPIK3CD
SCHEMBL25134014 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APOLBPIK3CD
SCHEMBL26648895 0.78 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APOLBPIK3CD
SCHEMBL24320368 0.75 ALDH1A1 (0.40) ALDH1A1NPC1RAB9APOLBPIK3CD
SCHEMBL21876734 0.71 PDE4D (0.38) ALDH1A1PRKDCLGMNMAPT
SCHEMBL21876680 0.71 HTR6 (0.39) ALDH1A1NPC1RAB9ALGMNMAPT
SCHEMBL21876628 0.70 OPRK1 (0.39) ALDH1A1NPC1RAB9ALGMNMAPT
SCHEMBL27123984 0.70 ALDH1A1 (0.36) ALDH1A1NPC1RAB9APOLBPKM
SCHEMBL26969658 0.70 ALDH1A1 (0.36) ALDH1A1NPC1RAB9APOLBPKM
SCHEMBL24319781 0.69 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APOLBPIK3CD

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed