SCHEMBL3226328

SCHEMBL3226328

CCCc1cc(N)c(C)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL1179864 0.85 HTT (0.56) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL29670157 0.84 MAPT (0.45) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL109101 0.84 MAPT (0.45) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL5849966 0.83 TRPA1 (0.45) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL6259604 0.81 RAB9A (0.44) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL21816945 0.79 GABRA1 (0.50) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL23387406 0.78 HTT (0.48) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL20170333 0.78 GABRA1 (0.40) RAB9ANPC1ALDH1A1MAPTGABRA1
SCHEMBL31545718 0.74 HTT (0.59) HTTRAB9ANPC1HPGDMAPK1
SCHEMBL2786932 0.73 KDM4E (0.63) HTTRAB9ANPC1HPGDMAPK1

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-2010017673-A1 RESORCINOL AND M-AMINOPHENOL DERIVATIVES BLENDS IN RUBBER COMPOUNDING APPLICATIONS SINO LEGEND (ZHANGJIAGANG) CHEMICAL CO., LTD (CN) 2010-02-18 WO disclosed
EP-0298704-A2 Adhesive composition for fibrous materials and process of its preparation Bridgestone Corporation (JP) 1989-01-11 EP disclosed