SCHEMBL3369845

SCHEMBL3369845

O=C(O)C1CN=C(c2ccccc2O)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
BCL2L1 Q07817 1/20 0.36
HTR2B P41595 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GUSB P08236 1/20 0.34

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
SCHEMBL3370058 0.77 LDHA (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7093065 0.70 HTR2B (0.42) POLBALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL3372129 0.70 HTR2B (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL7724475 0.70 HTR2B (0.42) POLBALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL17459434 0.70 PRKCZ (0.42) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL17404092 0.68 HTR2B (0.35) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL17404616 0.68 HTR2B (0.35) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL15941185 0.68 HTR2B (0.35) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL8303539 0.66 KDM1A (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL8303541 0.66 KDM1A (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed