SCHEMBL20165699

SCHEMBL20165699

Cc1cc(C)cc(COc2cccc3c2CC(C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR1A P08908 9/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 1/20 0.39
RXRB P28702 3/20 0.39
HPD P32754 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRG P48443 1/20 0.37
TACR1 P25103 1/20 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
SCHEMBL20165760 0.85 FFAR1 (0.35) MAOAMAOBHTR6HPDMAPT
SCHEMBL5607419 0.75 HTR1A (0.42) HTR1ADRD2
SCHEMBL15822590 0.73 TACR1 (0.33) RXRARXRBRXRGTACR1
SCHEMBL3657142 0.73 HTR1A (0.42) HTR1ADRD2
SCHEMBL2417663 0.72 HTR1A (0.44) HTR1ADRD2
SCHEMBL7606129 0.71 DRD2 (0.57) HTR1ADRD2
SCHEMBL11166219 0.68 ADRB2 (0.50) RXRARXRBMAPTMAPK1TDP1
SCHEMBL11196145 0.68 ADRB2 (0.50) RXRARXRBMAPTMAPK1TDP1
SCHEMBL11173983 0.68 ADRB2 (0.50) RXRARXRBMAPTMAPK1TDP1
SCHEMBL11173989 0.68 ADRB2 (0.50) RXRARXRBMAPTMAPK1TDP1

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-3541823-A1 CATALYSTS Borealis AG (AT) 2019-09-25 EP disclosed
WO-2018091684-A1 CATALYSTS BOREALIS AG (AT) 2018-05-24 WO disclosed