SCHEMBL9519260

SCHEMBL9519260

CC(=O)Oc1cccc2c3ccccc3n(Cc3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
ELANE P08246 1/20 0.47
P2RX4 Q99571 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.46
GFER P55789 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
FOLH1 Q04609 1/20 0.45
MCL1 Q07820 2/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45

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
SCHEMBL9056754 0.83 MEN1 (0.47) CYP19A1ELANEP2RX4KDM4ECYP1A2
Acetic Acid SCHEMBL9519258 0.78 CYP19A1 (0.78) CYP19A1P2RX4KDM4ECYP1A2CYP2C9
SCHEMBL8802009 0.77 MEN1 (0.46) CYP19A1ELANEKDM4EHSD17B10L3MBTL1
SCHEMBL8388094 0.77 MEN1 (0.48) KDM4EHSD17B10L3MBTL1PTGS2MAPT
SCHEMBL7234016 0.77 MAPT (0.55) L3MBTL1MAPTALDH1A1MTNR1AMTNR1B
SCHEMBL9056373 0.76 ELANE (0.57) CYP19A1ELANEP2RX4KDM4EMAPT
SCHEMBL9518406 0.76 FABP4 (0.66) CYP19A1P2RX4KDM4ECYP1A2CYP2C9
SCHEMBL9056374 0.76 ELANE (0.47) ELANEKDM4EGFERMAPTALDH1A1
SCHEMBL8388034 0.76 HDAC6 (0.44) P2RX4KDM4EMAPTALDH1A1MITF
SCHEMBL8387072 0.76 PTGES2 (0.42) KDM4ECYP1A2CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP disclosed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed