SCHEMBL7954657

SCHEMBL7954657

Cc1c(CCl)cc(C(=O)O)c(CCl)c1CCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HMGB1 P09429 2/20 0.33
CXCL12 P48061 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 3/20 0.33
CSNK2A1 P68400 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PON1 P27169 1/20 0.32
GPR35 Q9HC97 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL20141358 0.81 KDM4E (0.41) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL315803 0.78 KDM4E (0.39) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL27415299 0.76 KDM4E (0.48) KDM4EKMT2AHMGB1CXCL12ALDH1A1
SCHEMBL26683198 0.74 HPGD (0.41) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL27400020 0.74 TPMT (0.42) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL7959176 0.73 NPSR1 (0.44) KDM4EHMGB1CXCL12HPGDHSD17B10
SCHEMBL20140124 0.73 NPSR1 (0.39) KDM4EHMGB1CXCL12HPGDHSD17B10
SCHEMBL27953149 0.73 PON1 (0.32) KMT2APON1
SCHEMBL7952596 0.72 TPMT (0.48) KDM4EMEN1KMT2ATDP1HPGD
SCHEMBL27916175 0.72 TPMT (0.39) KDM4EMEN1KMT2ATDP1HPGD

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
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO claimed
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO disclosed