SCHEMBL19734121

SCHEMBL19734121

CC(C)c1ccc(Bc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.44
▸ HTT P42858 2/20 0.41
▸ IDO1 P14902 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SCN4A P35499 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL19734142 0.90 ACHE (0.40) TYRHTTIDO1NPC1RAB9A
SCHEMBL104124 0.80 TYR (0.58) TYRHTTIDO1MGLLNPC1
SCHEMBL10204556 0.80 TYR (0.42) TYRHTTIDO1MGLLNPC1
SCHEMBL10080004 0.78 TYR (0.43) TYRHTTIDO1MGLLNPC1
SCHEMBL28912214 0.77 TYR (0.55) TYRHTTIDO1MGLLNPC1
SCHEMBL6203905 0.77 TYR (0.55) TYRHTTIDO1MGLLNPC1
Ammonia Solution, Strong SCHEMBL7550588 0.77 TYR (0.55) TYRHTTIDO1MGLLNPC1
Water SCHEMBL11726962 0.77 TYR (0.55) TYRHTTIDO1MGLLNPC1
Water SCHEMBL29278796 0.77 TYR (0.55) TYRHTTIDO1MGLLNPC1
Hydrogen Peroxide SCHEMBL461155 0.74 TYR (0.55) TYRHTTIDO1MGLLALDH1A1

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
US-10862038-B2 Compositions comprising at least one polymer and at least one salt, and electroluminescent devices containing said compositions MERCK PATENT GMBH (DE) 2020-12-08 — — US disclosed
US-20170365785-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 — — US disclosed
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