SCHEMBL11010519

SCHEMBL11010519

CCC[C@H]1CC[C@H](C[C@H]2CC[C@H](Cc3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ CCR3 P51677 2/20 0.46
▸ PRMT6 Q96LA8 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CARM1 Q86X55 2/20 0.43
▸ PRMT3 O60678 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ PRMT8 Q9NR22 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL11010515 1.00 GBA1 (0.50) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL7513470 0.89 GBA1 (0.50) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL9346730 0.89 GBA1 (0.50) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL9346744 0.89 GBA1 (0.50) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL11010477 0.84 MAOA (0.43) KCNH2CCR3PRMT6HRH3ALDH1A1
SCHEMBL11010385 0.84 GBA1 (0.44) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL11010472 0.84 MAOA (0.43) KCNH2CCR3PRMT6HRH3ALDH1A1
SCHEMBL11010383 0.84 GBA1 (0.44) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL11010469 0.84 MAOA (0.43) KCNH2CCR3PRMT6HRH3ALDH1A1
SCHEMBL10902242 0.84 KCNH2 (0.58) GBA1KCNH2CCR3PRMT6HRH3

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-0131837-A1 Liquid crystalline compounds MERCK PATENT GmbH (DE) 1985-01-23 — — EP disclosed
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