SCHEMBL27901784

SCHEMBL27901784

CCN(CC)C(=O)Oc1cc(OC)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 2/20 0.45

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
SCHEMBL29219208 0.80 LMNA (0.56) LMNATSHRMEN1KMT2AKDM4E
SCHEMBL23214505 0.80 MEN1 (0.68) LMNATSHRMEN1KMT2AKDM4E
SCHEMBL29663966 0.80 MEN1 (0.68) LMNATSHRMEN1KMT2AKDM4E
SCHEMBL4644027 0.79 BACE1 (0.56) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4642607 0.78 MTNR1A (0.48) LMNAMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL4642055 0.78 TDP1 (0.44) SMN1; SMN2HSD17B10L3MBTL1ALDH1A1TDP1
SCHEMBL4641712 0.78 TDP1 (0.42) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL4644023 0.78 ALDH1A1 (0.43) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL4644298 0.77 TDP1 (0.43) HSD17B10L3MBTL1ALDH1A1TDP1
SCHEMBL5623889 0.77 MEN1 (0.88) LMNATSHRMEN1KMT2ASMN1; SMN2

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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed