SCHEMBL8828244

SCHEMBL8828244

COc1ccc(-c2ccc(/C=C/CC(=O)O)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
LMNA P02545 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPT P10636 5/20 0.38
P2RX7 Q99572 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8828251 1.00 PAM (0.47) PAMLMNANPC1RAB9ATP53
SCHEMBL6852522 0.83 LMNA (0.40) LMNANPC1RAB9ATP53POLB
SCHEMBL6852515 0.83 LMNA (0.40) LMNANPC1RAB9ATP53POLB
SCHEMBL9157074 0.81 MKNK1 (0.52) PAMLMNANPC1RAB9AMAPT
SCHEMBL9157078 0.81 MKNK1 (0.52) PAMLMNANPC1RAB9AMAPT
SCHEMBL6854142 0.75 LMNA (0.43) LMNANPC1RAB9ATP53POLB
SCHEMBL7230008 0.75 LMNA (0.48) LMNANPC1RAB9ATP53POLB
SCHEMBL2998855 0.75 PAM (0.61) PAMLMNANPC1RAB9ATP53
SCHEMBL2998851 0.75 PAM (0.61) PAMLMNANPC1RAB9ATP53
SCHEMBL1867087 0.73 TP53 (0.54) LMNANPC1RAB9ATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618502-A PURIFICATION BY ELUTING THROUGH AN ANIONIC EXCHANGE RESIN WESTINGHOUSE ELECTRIC CORPORATION (US) 1997-04-08 US disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
EP-0490128-B1 Zirconium-hafnium production in a zero liquid discharge process WESTINGHOUSE ELECTRIC CORP (US) 1996-05-22 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0490128-A2 Zirconium-hafnium production in a zero liquid discharge process WESTINGHOUSE ELECTRIC CORPORATION (US) 1992-06-17 EP disclosed
US-5112493-A Liquid chromatography, acidification, rotation and separation followed by reduction WESTINGHOUSE ELECTRIC CORP. (US) 1992-05-12 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed