SCHEMBL7330307

SCHEMBL7330307

O=C[C@H](COC1CCCCO1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL7320247 0.83 KDM4C (0.36) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL17846160 0.83 MEN1 (0.41) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL10433460 0.82 CREBBP (0.37) MEN1KMT2AKDM4CSLC6A3ITGB1
SCHEMBL10433458 0.82 CREBBP (0.37) MEN1KMT2AKDM4CSLC6A3ITGB1
SCHEMBL10433363 0.81 EPHX1 (0.51) MEN1KMT2AKDM4CSLC6A3ITGB1
SCHEMBL7097200 0.80 EPHX1 (0.43) MEN1KMT2AKDM4C
SCHEMBL3993157 0.79 ALDH1A1 (0.38) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL10433383 0.78 KDM4C (0.39) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL7098095 0.78 KDM4C (0.39) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL9184517 0.77 SIGMAR1 (0.36) MEN1KMT2AKDM4C

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-0353732-A2 Fluoro-olefins, method for their preparation and their use CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed