SCHEMBL8083501

SCHEMBL8083501

O=C(NCc1ccc2ccccc2c1)C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.65
ERCC4 Q92889 1/20 0.65
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
USP2 O75604 1/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
SMO Q99835 1/20 0.51
ALOX12 P18054 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL8097845 0.86 MTNR1A (0.56) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31176222 0.83 MTNR1A (0.56) ALDH1A1HPGDUSP2MEN1KMT2A
SCHEMBL9131926 0.83 MTNR1A (0.56) ALDH1A1HPGDUSP2MEN1KMT2A
SCHEMBL6244724 0.81 ALDH1A1 (0.93) ERCC1ERCC4ALDH1A1HPGDUSP2
SCHEMBL507837 0.80 ALDH1A1 (0.90) ERCC1ERCC4ALDH1A1HPGDUSP2
SCHEMBL9130436 0.79 MTNR1A (0.54) MEN1KMT2A
SCHEMBL23839974 0.79 CAPN1 (0.63)
SCHEMBL13203840 0.79 ALDH1A1 (0.47) ERCC1ERCC4ALDH1A1HPGDUSP2
SCHEMBL10113306 0.79 ALDH1A1 (0.47) ERCC1ERCC4ALDH1A1HPGDUSP2
SCHEMBL10114093 0.78 ALDH1A1 (0.47) ERCC1ERCC4ALDH1A1HPGDUSP2

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