SCHEMBL24061778

SCHEMBL24061778

CC(C)NCc1cccc(Oc2ccc(O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FFAR1 O14842 5/20 0.47
▸ PTGES O14684 1/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ BAX Q07812 1/20 0.44
▸ FDFT1 P37268 1/20 0.44

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
SCHEMBL14438291 0.88 KDM4E (0.57) KDM4EALDH1A1HTTSMN1; SMN2FFAR1
SCHEMBL12890739 0.87 ALDH1A1 (0.65) KDM4EALDH1A1HTTSMN1; SMN2FFAR1
SCHEMBL23330026 0.82 SMN1; SMN2 (0.46) KDM4EALDH1A1HTTSMN1; SMN2FFAR1
SCHEMBL2954251 0.78 CASR (0.60) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL15592744 0.77 CYP1A2 (0.58) KDM4EKMT2ASLC2A1MAPTPKM
SCHEMBL23330025 0.77 LMNA (0.57) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL5112767 0.76 LTA4H (0.55) SMN1; SMN2FFAR1MEN1KMT2ALTA4H
SCHEMBL30979265 0.76 LTA4H (0.55) SMN1; SMN2FFAR1MEN1KMT2ALTA4H
SCHEMBL14438287 0.76 LTA4H (0.50) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL6061334 0.75 LTA4H (0.50) FFAR1MEN1KMT2ALTA4HNR1H2

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-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 — — EP disclosed
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