SCHEMBL12811368

SCHEMBL12811368

Cc1cccc(-c2ccc3c(c2)oc2cc4oc5cc(-c6ccccc6)ccc5c4cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KCNA3 P22001 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ENPP3 O14638 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL13513222 0.90 CA12 (0.49) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9917130 0.89 L3MBTL1 (0.48) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL1636421 0.88 PRKDC (0.46) HPGDNPC1RAB9AMAOAMAPT
SCHEMBL1637394 0.88 PRKDC (0.48) HPGDNPC1RAB9ASMN1; SMN2MAOA
SCHEMBL13513223 0.87 L3MBTL1 (0.49) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9917226 0.86 MAOB (0.49) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18382941 0.85 KDM4E (0.53) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9917132 0.85 L3MBTL1 (0.48) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19521810 0.85 MAPT (0.50) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9917216 0.84 HPGD (0.48) HPGDNPC1RAB9ASMN1; SMN2CA12

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-2301926-A1 HALOGEN COMPOUND, POLYCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE POLYCYCLIC COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — EP disclosed
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