SCHEMBL8722967

SCHEMBL8722967

C[C@H](NC(=O)c1ccc(Cc2ccc(N(CCBr)CCBr)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 4/20 0.39
RECQL P46063 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
XBP1 P17861 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8722057 0.91 HRH3 (0.41) ALDH1A1MAPTNPSR1RECQLL3MBTL1
SCHEMBL8726452 0.89 MAPT (0.40) ALDH1A1LMNAMAPTNPSR1TDP1
SCHEMBL8723006 0.85 DHFR (0.33) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL8726507 0.84 CA1 (0.47) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL8724211 0.81 MAPT (0.41) ALDH1A1MAPTNPSR1RECQLL3MBTL1
SCHEMBL8726160 0.80 MAPT (0.36) ALDH1A1MAPTNPSR1RECQLL3MBTL1
SCHEMBL8727998 0.77 TAS1R3 (0.46) ALDH1A1MAPTNPSR1RECQLTDP1
SCHEMBL8726187 0.77 ADAMTS5 (0.36) MAPTNPSR1RAB9A
SCHEMBL8721920 0.76 DHFR (0.34) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL30571505 0.74 ALDH1A1 (0.50) ALDH1A1LMNACYP2C19MAPTNPSR1

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed