SCHEMBL8095243

SCHEMBL8095243

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
CCR2 P41597 5/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HDAC6 Q9UBN7 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MTOR P42345 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MLYCD O95822 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL17342646 0.97 USP2 (0.56) ERCC1ERCC4CCR2USP2ALDH1A1
SCHEMBL5275905 0.94 CCR2 (0.59) ERCC1ERCC4CCR2USP2ALDH1A1
SCHEMBL15844342 0.88 ALDH1A1 (0.54) CCR2ALDH1A1MTORLMNAPOLB
Formic Acid SCHEMBL5676537 0.88 CCR2 (0.55) CCR2USP2ALDH1A1HPGDKDM4E
SCHEMBL15844868 0.85 HTR2C (0.51) CCR2MTORLMNAPOLBGAA
SCHEMBL5526975 0.85 KDM4E (0.65) ERCC1ERCC4USP2ALDH1A1HPGD
SCHEMBL5534711 0.84 HDAC6 (0.66) ERCC1ERCC4USP2ALDH1A1HPGD
SCHEMBL13818163 0.84 LMNA (0.51) CCR2HPGDMTORLMNAPOLB
SCHEMBL17048662 0.83 KDM4E (0.53) ERCC1ERCC4CCR2USP2ALDH1A1
SCHEMBL17048513 0.82 WDR5 (0.53) ERCC1ERCC4CCR2USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed