SCHEMBL29627403

SCHEMBL29627403

CCCCCCC(C)(C)c1cc(OC)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 5/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
KMT2A Q03164 3/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.49
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.47
HDAC3 O15379 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL29627391 0.91 MAPT (0.53) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL29627393 0.90 HTR1D (0.44) NPC1RAB9APOLBMAPTTSHR
SCHEMBL29627399 0.88 MAPT (0.52) NPC1RAB9APOLBMAPTTSHR
SCHEMBL29627407 0.82 MAPT (0.50) NPC1RAB9APOLBMAPTTSHR
SCHEMBL27097076 0.80 L3MBTL1 (0.46) SMN1; SMN2EGFRHTR1A
SCHEMBL24539595 0.78 MAPT (0.52) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL29627406 0.78 HTR1D (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL29627409 0.76 SMN1; SMN2 (0.54) RAB9AMAPTTSHRKMT2AMAPK1
SCHEMBL29627400 0.75 ALDH1A1 (0.52) POLBMAPTMAPK1ALDH1A1EGFR
SCHEMBL29627405 0.72 NPC1 (0.49) NPC1RAB9AKMT2ATP53GAA

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-2022133058-A1 RESORCINOL-BASED COMPOUNDS AND USES THEREOF SUTTER BAY HOSPITALS (US) 2022-06-23 WO disclosed