SCHEMBL4379660

SCHEMBL4379660

CCC(O)(CC)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ACHE P22303 5/20 0.41
TSHR P16473 2/20 0.41
OPRM1 P35372 1/20 0.41
KIF11 P52732 4/20 0.41
ESR1 P03372 3/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 2/20 0.39
ENPP2 Q13822 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
SCHEMBL5950522 0.87 ESR1 (0.40) LMNAESR1ESR2
SCHEMBL393199 0.83 ESR1 (0.58) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL13815889 0.82 ESR1 (0.42) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL2399948 0.82 ESR1 (0.42) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL5160005 0.79 LMNA (0.50) ALDH1A1CYP3A4LMNAACHEKIF11
SCHEMBL31215161 0.79 LMNA (0.44) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL13930904 0.79 ESR1 (0.44) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL11783483 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4CA12CA2LMNA
SCHEMBL825377 0.79 LMNA (0.44) ALDH1A1CYP3A4CA12CA2LMNA
Hydrochloric Acid SCHEMBL28794045 0.79 KIF11 (0.41) ALDH1A1CYP3A4CA12CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed
US-5374629-A A triene steroids as anticarcinogenic agents, treating skin disorders LEO PHARMACEUTICAL PRODUCTS LTD. A/S LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1994-12-20 US disclosed
EP-0522013-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1994-11-23 EP disclosed
EP-0522013-A1 NOVEL VITAMIN D ANALOGUES. LEO PHARM PROD LTD (DK) 1993-01-13 EP disclosed
WO-1991015475-A1 NOVEL VITAMIN D ANALOGUES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-10-17 WO disclosed