SCHEMBL23708144

SCHEMBL23708144

CCOC(=O)COc1cc(-c2ccccc2)ccc1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ BACE1 P56817 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL15550254 0.84 USP2 (0.53) MAPTALDH1A1KDM4EHSD17B10POLB
SCHEMBL23708146 0.77 RARA (0.51) BACE1ALDH1A1KDM4EHPGDCASP7
SCHEMBL26774619 0.77 LIPG (0.45) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL23708497 0.77 LIPG (0.45) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL26774623 0.77 LIPG (0.45) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL15819956 0.76 ALDH1A1 (0.57) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL12953426 0.76 ESR1 (0.52) MAPTALDH1A1KDM4EHPGDCASP3
SCHEMBL23708324 0.74 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHPGDCASP7
SCHEMBL29935380 0.74 LIPG (0.61) —
SCHEMBL8133261 0.73 HTR1A (0.54) MAPTALDH1A1HSD17B10USP2LMNA

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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