SCHEMBL30169488

SCHEMBL30169488

CN(C)c1ccc(C(=C2CCCCC2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
ESR1 P03372 2/20 0.50
PGR P06401 1/20 0.50
CHRM2 P08172 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
AR P10275 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.46
RXRA P19793 4/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
RARB P10826 1/20 0.44

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
SCHEMBL11705475 0.90 ESR1 (0.50) NPC1MEN1KMT2AESR1PGR
SCHEMBL11701640 0.88 ALDH1A1 (0.48) NPC1MEN1KMT2AESR1PGR
SCHEMBL33368 0.80 NPC1 (0.77) NPC1MEN1KMT2APOLBHPGD
SCHEMBL3468873 0.80 CA2 (0.59) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468092 0.80 CA2 (0.59) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468640 0.80 CA2 (0.59) ESR1PGRCHRM2ADORA3AR
SCHEMBL2271443 0.78 NPC1 (0.74) NPC1MEN1KMT2APOLBHPGD
SCHEMBL1552312 0.78 NPC1 (0.74) NPC1MEN1KMT2APOLBHPGD
SCHEMBL10626135 0.78 NPC1 (0.74) NPC1MEN1KMT2APOLBHPGD
SCHEMBL28360958 0.78 NPC1 (0.74) NPC1MEN1KMT2APOLBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362988-A1 ANTIMICROBIAL PEPTIDES AND THEIR USE The University of Manchester (GB) 2024-05-08 EP disclosed
WO-2023275537-A1 ANTIMICROBIAL PEPTIDES AND THEIR USE THE UNIVERSITY OF MANCHESTER (GB) 2023-01-05 WO disclosed