SCHEMBL22019596

SCHEMBL22019596

Cc1ccc(SCCC(C)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
STAT3 P40763 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21741020 0.84 MEN1 (0.44) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL21713291 0.82 MAOA (0.53) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL28429798 0.77 HPGD (0.46) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL11383283 0.77 MAOA (0.45) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL5168911 0.76 NPC1 (0.65) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL14274070 0.74 ACHE (0.48) ACHEMAOAMAOBSTAT3
SCHEMBL26023546 0.74 HPGD (0.47) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL11389389 0.74 SLC6A4 (0.45) RAB9AMAOAMAOB
SCHEMBL11383274 0.74 MAOA (0.43) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL22755713 0.73 NPC1 (0.52) HPGDNPC1RAB9AALDH1A1MAPT

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
EP-3653573-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed