SCHEMBL18201975

SCHEMBL18201975

CCc1cc(C(C)(C)C)ccc1-c1cc2c(ccc3ccccc32)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 3/20 0.35

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
SCHEMBL18202037 0.83 ALOX5AP (0.42) ALOX5APALDH1A1HSD17B10NPC1CASP3
SCHEMBL13169265 0.78 TDO2 (0.50) TRPV1ALDH1A1HSD17B10NPC1CASP3
SCHEMBL24809970 0.72 ALDH1A1 (0.56) ALDH1A1CYP2D6HSD17B10NPC1PLA2G1B
SCHEMBL26543894 0.71 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1CASP3RAB9A
SCHEMBL13169242 0.71 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1CASP3SENP8
SCHEMBL30063855 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10NPC1CASP3SENP8
SCHEMBL13845112 0.71 KMT2A (0.42) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL13863582 0.70 ALDH1A1 (0.49) ALOX5APALDH1A1CYP2D6HSD17B10NPC1
SCHEMBL18201976 0.70 MAPT (0.42) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL18202015 0.69 CYP11B1 (0.47) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1

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-2217607-B1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT EMITTING DEVICE AND DISPLAY APPARATUS USING THE SAME CANON KK (JP) 2016-11-02 — — EP disclosed
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