SCHEMBL18174891

SCHEMBL18174891

CCCC[C@H](C)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MMP12 P39900 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ AHR P35869 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTPN1 P18031 2/20 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
SCHEMBL12386886 0.84 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14040052 0.82 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL24906570 0.81 PTPN1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28304138 0.78 MAOA (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29198379 0.78 MAOA (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1102393 0.77 MEN1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21237911 0.75 AHR (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9963713 0.75 AHR (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18174894 0.75 NQO1 (0.38) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL22787856 0.74 MAPT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 — — US disclosed
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