SCHEMBL29627399

SCHEMBL29627399

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HDAC3 O15379 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NR4A1 P22736 1/20 0.44
POLB P06746 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
SCHEMBL24539595 0.90 MAPT (0.52) MAPTHDAC8RAB9ANPC1MEN1
SCHEMBL29627406 0.90 HTR1D (0.46) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL29627403 0.88 NPC1 (0.53) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL24539594 0.83 MAPK1 (0.47) MAPTHSD17B10TSHRNPC1MEN1
SCHEMBL29627411 0.81 SETD2 (0.45) MAPTHDAC3RAB9ANPC1MEN1
SCHEMBL24539600 0.81 SETD2 (0.45) MAPTHDAC3RAB9ANPC1MEN1
SCHEMBL24539687 0.81 CNR1 (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL27097077 0.79 TP53 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29627391 0.78 MAPT (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29627393 0.78 HTR1D (0.44) MAPTHSD17B10TSHRHPGDTAAR1

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