SCHEMBL9735929

SCHEMBL9735929

Cn1cc(CC(O)C(=O)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
MME P08473 2/20 0.42
MDM2 Q00987 1/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
OPRK1 P41145 1/20 0.39
ESR1 P03372 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL9735739 0.77 OPRM1 (0.37) OPRM1MMEMDM2HAT1EP300
SCHEMBL9736562 0.77 MDM2 (0.44) MDM2MAPK1L3MBTL1LMNAHPGD
SCHEMBL26065 0.76 MDM2 (0.68) MDM2L3MBTL1LMNA
SCHEMBL9736504 0.76 OPRM1 (0.40) OPRM1MMEHAT1EP300MAPK1
SCHEMBL3470504 0.75 GRN (0.43) OPRM1MAPK1L3MBTL1FNTAFNTB
SCHEMBL7544500 0.72 MAPK1 (0.41) OPRM1MAPK1L3MBTL1FNTAFNTB
SCHEMBL15570529 0.72 SMN1; SMN2 (0.59) MAPK1L3MBTL1LMNAHPGDHDAC1
SCHEMBL9737253 0.72 KDM4E (0.53) MDM2LMNA
SCHEMBL16295829 0.71 ALDH1A1 (0.38) OPRM1MAPK1L3MBTL1FNTAFNTB
SCHEMBL25353489 0.71 GRIA1 (0.49) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed