SCHEMBL19171940

SCHEMBL19171940

CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2cc(C)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NDUFS8 O00217 1/20 0.46
▸ COXFA4 O00483 1/20 0.46
▸ NDUFAB1 O14561 1/20 0.46
▸ NDUFA1 O15239 1/20 0.46
▸ NDUFS4 O43181 1/20 0.46
▸ NDUFB5 O43674 1/20 0.46
▸ NDUFB3 O43676 1/20 0.46
▸ NDUFC1 O43677 1/20 0.46
▸ NDUFA2 O43678 1/20 0.46
▸ NDUFS5 O43920 1/20 0.46
▸ NDUFS7 O75251 1/20 0.46
▸ NDUFS2 O75306 1/20 0.46
▸ NDUFS6 O75380 1/20 0.46

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
SCHEMBL1095793 1.00 MAOA (0.47) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL3135327 0.94 ALDH1A1 (0.52) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL2186487 0.94 ALDH1A1 (0.52) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL1096028 0.94 ALDH1A1 (0.52) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL9292707 0.94 ALDH1A1 (0.52) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL2190565 0.94 ALDH1A1 (0.52) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL4223262 0.86 NDUFS8 (0.45) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL28061786 0.86 NDUFS8 (0.58) MAOBALDH1A1KMT2AKDM4EGLA
SCHEMBL1526869 0.84 KDM4E (0.63) MAOBALDH1A1KMT2AKDM4EGLA
SCHEMBL1095445 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EGLAGAA

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
US-9719124-B2 Methods for detecting Listeria monocytogenes 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-01 — — US disclosed
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