3-Hydroxybenzaldehyde

3-Hydroxybenzaldehyde

SCHEMBL6558945

C=CCOc1cccc(C=O)c1.O=Cc1cccc(O)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.55
MAOB P27338 7/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SRC P12931 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42

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
SCHEMBL29549500 0.92 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL429910 0.92 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
3-(Allyloxy)Phenol SCHEMBL27494286 0.85 APP (0.47) NPC1RAB9AMEN1KMT2AMAP1LC3B
3-(Allyloxy)Phenol SCHEMBL483058 0.85 APP (0.50) NPC1RAB9AMEN1KMT2AMAP1LC3B
3-(Allyloxy)Phenol SCHEMBL27721429 0.84 APP (0.49) NPC1RAB9AMEN1KMT2AMAP1LC3B
3-(Allyloxy)Phenol SCHEMBL6308372 0.82 KAT6A (0.43) NPC1RAB9AMEN1KMT2AMAP1LC3B
3-(Allyloxy)Phenol SCHEMBL27494285 0.81 KAT6A (0.47) NPC1RAB9AMAP1LC3BMAP1LC3A
SCHEMBL8671875 0.81 KDM4E (0.44) MAOAMAOBNPC1RAB9AMEN1
3-(Allyloxy)Phenol SCHEMBL6690965 0.81 CHRNB2 (0.46) NPC1RAB9AMEN1KMT2AMAP1LC3B
3-(Allyloxy)Phenol SCHEMBL27650695 0.81 DRD2 (0.48) NPC1RAB9AMEN1KMT2AMAP1LC3B

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-1392643-A2 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002094767-A2 TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LABORATORIES (US) 2002-11-28 WO disclosed