SCHEMBL20407340

SCHEMBL20407340

CCC(N)(CC)c1ccc(-c2c(C(=O)OC)ccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL14134529 0.80 MAPT (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15870967 0.80 MEN1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17255965 0.80 MAPT (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30356865 0.77 MAPT (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL593520 0.77 MAPT (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL16384877 0.77 SLC6A3 (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15870974 0.77 MAPT (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13152864 0.76 SLC6A3 (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12130324 0.75 ALOX5 (0.44) —
SCHEMBL17304516 0.74 MAPT (0.55) MAPTMEN1KMT2AKDM4EALDH1A1

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
EP-2941472-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-07-25 — — EP disclosed
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