SCHEMBL23708146

SCHEMBL23708146

OCCOc1cc(-c2ccccc2)ccc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.51
▸ RARB P10826 4/20 0.51
▸ RARG P13631 4/20 0.51
▸ BACE1 P56817 2/20 0.44
▸ GBA1 P04062 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRH1 P35367 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL23708324 0.79 ALDH1A1 (0.57) GBA1ALDH1A1KDM4ESMN1; SMN2HRH1
SCHEMBL29763755 0.79 RARG (0.81) RARARARBRARGGBA1HSD17B10
SCHEMBL23708144 0.77 MAPT (0.46) BACE1ALDH1A1LMNAKDM4EHTT
SCHEMBL23708148 0.73 ALOX5 (0.52) BACE1GBA1ALDH1A1LMNAKDM4E
SCHEMBL23708307 0.73 ALDH1A1 (0.40) ALDH1A1LTA4HLMNAHRH3KDM4E
SCHEMBL7055686 0.72 HTR1A (0.50) LMNAHTTSMN1; SMN2
SCHEMBL8342129 0.72 POLB (0.54) ALDH1A1KDM4ESMN1; SMN2L3MBTL1KMT2A
SCHEMBL23708502 0.70 KEAP1 (0.56) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL23708081 0.70 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD
SCHEMBL23708171 0.70 NCF1 (0.48) BACE1ALDH1A1LMNAHRH3KDM4E

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-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 — — WO disclosed
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