SCHEMBL6089141

SCHEMBL6089141

CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccc(OCC(O)CN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ATM Q13315 1/20 0.50
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
ABCB1 P08183 3/20 0.47
TSHR P16473 3/20 0.45
HIF1A Q16665 1/20 0.45
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
ESR2 Q92731 1/20 0.44
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 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
SCHEMBL6087501 0.96 KMT2A (0.48) KMT2AATMCYP2D6CYP2C19KDM4E
SCHEMBL6088132 0.85 HIF1A (0.41) KMT2AKDM4EHIF1AALDH1A1
SCHEMBL6087774 0.83 MAPT (0.41) KMT2AKDM4EPOLBABCB1TSHR
SCHEMBL6470211 0.81 KMT2A (0.30) KMT2A
SCHEMBL12387763 0.77 ACACB (0.36)
SCHEMBL976664 0.76 HSD11B1 (0.32) ESR2
SCHEMBL975149 0.75 LMNA (0.34) KMT2AATMKDM4EPOLBTSHR
SCHEMBL7955288 0.73 KMT2A (0.74) KMT2AATMCYP2D6CYP2C19KDM4E
SCHEMBL13715800 0.73 HSD11B1 (0.31) CYP2D6
SCHEMBL20437921 0.72 KMT2A (0.94) KMT2AATMCYP2D6CYP2C19KDM4E

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-7144691-B2 Color photographic recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-12-05 US disclosed
US-20050079455-A1 Colour photographic recording material CIBA SPECIALTY CHEMICALS CORP. 2005-04-14 US disclosed