SCHEMBL8956367

SCHEMBL8956367

CCCCCCCCCCCCCCCCCCOC(=O)Nc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ESR1 P03372 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6019410 1.00 EPHX1 (0.44) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL10583663 0.80 ESR1 (0.48) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL6750845 0.80 NR5A2 (0.48) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL11803015 0.79 ALDH1A1 (0.51) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL45414 0.79 ALDH1A1 (0.51) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL2750401 0.77 TSHR (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3688694 0.75 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4355643 0.75 SMN1; SMN2 (0.51) EPHX1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL11816562 0.74 ESR1 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10749478 0.73 GAA (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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
EP-0374513-B1 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO (US) 1996-01-10 EP disclosed
US-5328901-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5231091-A Antihistamines, anaphylactic, respiratory system disorders, cardiovascular disorders ans septic shock AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed