SCHEMBL22259677

SCHEMBL22259677

BC1CC[C@@H](C2CCCc3ccc(C)cc3CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ SRD5A1 P18405 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL31498326 0.72 SRD5A1 (0.38) ALDH1A1SRD5A1CYP3A4
SCHEMBL414198 0.70 NPC1 (0.52) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL597333 0.70 DPP4 (0.49) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL22005789 0.68 DPP4 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL6455988 0.68 ALDH1A1 (0.35) ALDH1A1SRD5A1CYP3A4SMN1; SMN2
SCHEMBL6455983 0.68 ALDH1A1 (0.35) ALDH1A1SRD5A1CYP3A4SMN1; SMN2
SCHEMBL13254613 0.66 ALDH1A1 (0.47) ALDH1A1
SCHEMBL12670641 0.66 DRD2 (0.47) ALDH1A1SRD5A1CYP3A4MAPTNFKB1
SCHEMBL15759222 0.66 SRD5A1 (0.40) NPC1RAB9APOLBALDH1A1SRD5A1
SCHEMBL13961201 0.66 SRD5A1 (0.40) NPC1RAB9APOLBALDH1A1SRD5A1

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 — — WO disclosed
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