SCHEMBL22537580

SCHEMBL22537580

CC(C)c1ccc(OC2=CC=C(N(C)CCO)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FKBP1A P62942 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ SLC9A5 Q14940 1/20 0.32
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NPY5R Q15761 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30

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
SCHEMBL20004348 0.76 L3MBTL1 (0.48) TRPV1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6782387 0.68 L3MBTL1 (0.55) TRPV1SMN1; SMN2KMT2AL3MBTL1HPGD
SCHEMBL1415259 0.68 TRPV1 (0.43) TRPV1SMN1; SMN2RAB9ASLC9A5NPC1
1,4-Butanediol SCHEMBL1592902 0.66 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMEN1KMT2AL3MBTL1
SCHEMBL12923041 0.66 KMT2A (0.35) SMN1; SMN2RAB9AMEN1KMT2AFKBP1A
SCHEMBL21146819 0.64 L3MBTL1 (0.51) TRPV1SMN1; SMN2KMT2AL3MBTL1HPGD
SCHEMBL20005006 0.64 TRPV1 (0.38) TRPV1SMN1; SMN2RAB9AKMT2AHPGD
SCHEMBL22384778 0.63 ESR1 (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15849015 0.63 ALDH1A1 (0.48) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL4366979 0.63 ALDH1A1 (0.48) SMN1; SMN2RAB9AMEN1KMT2AMAPT

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-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 — — EP disclosed
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