SCHEMBL8522659

SCHEMBL8522659

C[C](C)C(Cc1ccccc1)=C(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK1 P28482 1/20 0.35
CTBP2 P56545 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL66063 0.77 CES1 (0.50) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL575184 0.76 CES1 (0.55) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL28779184 0.73 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL1331954 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL10823798 0.72 CES1 (0.50) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL6698503 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL2333780 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL3421936 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL10503945 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL7058395 0.72 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1

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-1999008527-A1 COMPOSITIONS FOR TREATING TEXTILE AND PLASTIC ANTIMICROBIAL FINISH, AND USE OF SAME SANITIZED AG (CH) 1999-02-25 WO disclosed