SCHEMBL6087501

SCHEMBL6087501

CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C(C)ON4C(C)(C)CC5(CC4(C)C)OCC(C)(C)CO5)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL6089141 0.96 KMT2A (0.54) KMT2AKDM4EGLAUSP2TSHR
SCHEMBL6088132 0.86 HIF1A (0.41) KMT2AKDM4EALDH1A1LMNAMAPK1
SCHEMBL6087774 0.85 MAPT (0.41) KMT2AKDM4ETSHRMAPTALDH1A1
SCHEMBL6470211 0.82 KMT2A (0.30) KMT2AMAPK1
SCHEMBL12387763 0.79 ACACB (0.36)
SCHEMBL974405 0.78 ALDH1A1 (0.39) KMT2AGLATSHRMAPTALDH1A1
SCHEMBL976664 0.77 HSD11B1 (0.32)
SCHEMBL975149 0.77 LMNA (0.34) KMT2AKDM4EGLATSHRMAPT
SCHEMBL13715800 0.75 HSD11B1 (0.31) CYP2D6
SCHEMBL12922174 0.71 ALDH1A1 (0.39) KMT2AGLATSHRMAPTALDH1A1

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