SCHEMBL7051803

SCHEMBL7051803

CCOC(=O)c1cc(C(=O)Cl)c(C(=O)O)cc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
GAA P10253 4/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43

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
SCHEMBL8639598 0.93 TSHR (0.55) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL7263275 0.91 TSHR (0.57) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL4952910 0.91 TSHR (0.57) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL828639 0.91 TSHR (0.57) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL337915 0.91 TSHR (0.57) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL11576424 0.91 TSHR (0.57) TSHRKDM4EALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7196906 0.89 TSHR (0.55) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL15920586 0.84 CYP4F2 (0.51) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL1852703 0.83 TSHR (0.53) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL346578 0.82 TSHR (0.67) TSHRKDM4EALDH1A1MAPTLMNA

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-2003022955-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING A POLYIMIDE HOLE TRANSPORT LAYER NESSDISPLAY CO., LTD. (KR) 2003-03-20 WO claimed
WO-2003022955-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING A POLYIMIDE HOLE TRANSPORT LAYER NESSDISPLAY CO., LTD. (KR) 2003-03-20 WO disclosed