SCHEMBL9681265

SCHEMBL9681265

COc1ccc(C(=O)C(C)(C)N(C)CCCCCCN(C)C(C)(C)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DRD2 P14416 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 4/20 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
SCHEMBL9681707 0.81 HDAC1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10458476 0.80 CES2 (0.53) RAB9ACES2CES1ALDH1A1LMNA
SCHEMBL57578 0.80 CES2 (0.53) RAB9ACES2CES1ALDH1A1LMNA
SCHEMBL9679513 0.79 HDAC3 (0.48) MEN1CYP2D6HTTKMT2ANPC1
SCHEMBL9681281 0.77 CA1 (0.47) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL9681297 0.76 CES2 (0.48) BCHERAB9ACES2CES1ALDH1A1
SCHEMBL757101 0.73 CES2 (0.61) MEN1KMT2ARAB9ACES2CES1
SCHEMBL9681272 0.72 KMT2A (0.47) MEN1HTTKMT2ANPC1RAB9A
SCHEMBL10891605 0.72 THRB (0.56) BCHEACHEMAPT
SCHEMBL11258091 0.72 KDM4E (0.49) MEN1CYP2D6KMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed