SCHEMBL6264126

SCHEMBL6264126

COC(=O)c1ccccc1CN1C=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
SIRT1 Q96EB6 1/20 0.45
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.41
NPBWR1 P48145 1/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 2/20 0.40
CFTR P13569 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MYC P01106 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29994976 0.73 MYC (0.51) ALDH1A1LMNATSHRHSD17B10POLB
SCHEMBL28343653 0.73 KDM4E (0.60) ALDH1A1LMNASIRT1HIF1ATSHR
SCHEMBL10210904 0.71 KDM4E (0.63) ALDH1A1LMNASIRT1HIF1AHSD17B10
Hydrochloric Acid SCHEMBL6580775 0.71 KDM4E (0.59) ALDH1A1LMNASIRT1HIF1ATSHR
SCHEMBL6585398 0.70 HDAC3 (0.56) ALDH1A1LMNASIRT1KMT2AKDM4E
SCHEMBL7649030 0.70 KDM4E (0.49) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL70322 0.70 ALDH1A1 (0.66) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL10360804 0.70 ALDH1A1 (0.77) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL156281 0.70 ALDH1A1 (0.66) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL417711 0.70 ALDH1A1 (0.60) ALDH1A1LMNAHIF1ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed