SCHEMBL21622784

SCHEMBL21622784

Clc1ccc(CCc2ccco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8893596 0.83 POLB (0.51) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL719865 0.81 L3MBTL1 (0.46) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL21622787 0.80 RAB9A (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL510357 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL9376259 0.80 GFER (0.56) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8146532 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1711865 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1255865 0.76 LOXL2 (0.43) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL24400609 0.76 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28879016 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTPOLB

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-2020012403-A1 AN IMPROVED PROCESS FOR DIASTER-EOSELECTIVE SYNTHESIS OF VICINAL DIAMINES Piramal Enterprises Limited (IN) 2020-01-16 WO disclosed