SCHEMBL21596768

SCHEMBL21596768

CC12CC3CC(N)(CC(C1)c1ccccc13)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
KDM1A O60341 4/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37

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
SCHEMBL866824 0.71 CHRNB4 (0.41) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL29890007 0.67 KDM1A (0.40) EPHX2KDM1AMAOAMAOB
SCHEMBL16749053 0.66 ALDH1A1 (0.44) KDM1A
SCHEMBL15466887 0.63 GRIN2D (0.36)
SCHEMBL15471041 0.63 GRIN2D (0.36)
SCHEMBL4860219 0.63 KDM1A (0.36) KDM1AMAOAMAOB
SCHEMBL1655925 0.63 GRIN2D (0.42)
SCHEMBL29890249 0.62 CHRNB4 (0.38) EPHX2
Hydrochloric Acid SCHEMBL31226369 0.61 LMNA (0.39)
SCHEMBL11261562 0.61 HTT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810572-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Universitat de Barcelona (ES) 2021-04-28 EP disclosed
WO-2019243414-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIVERSITAT DE BARCELONA (ES) 2019-12-26 WO disclosed