SCHEMBL7013256

SCHEMBL7013256

CC(C)CCc1ccc(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
DAO P14920 6/20 0.46
LMNA P02545 1/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
LIG1 P18858 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
PTGER2 P43116 3/20 0.39
PTGER4 P35408 1/20 0.39
SCD O00767 1/20 0.39
PTGER3 P43115 2/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL9684214 0.88 DAO (0.44) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL7990188 0.86 DAO (0.43) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL6194559 0.85 DAO (0.42) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL6196081 0.83 DAO (0.41) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL6193946 0.83 ALDH1A1 (0.42) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL261525 0.81 ALDH1A1 (0.66) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL3393175 0.81 POLB (0.42) ALDH1A1DAOLMNAPRNPRECQL
SCHEMBL6195519 0.80 ALDH1A1 (0.43) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL262537 0.79 DAO (0.50) ALDH1A1HPGDDAOLMNAPRNP
SCHEMBL2653704 0.79 POLB (0.40) ALDH1A1HPGDDAOLMNAPRNP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560272-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-04-13 CN disclosed
CN-101560273-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-03-23 CN disclosed
CN-101560273-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN disclosed
CN-101560272-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN disclosed
EP-0690863-B1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 2003-03-05 EP disclosed
US-5597832-A TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER ABBOTT LABORATORIES (US) 1997-01-28 US disclosed