SCHEMBL29396153

SCHEMBL29396153

Cc1ccc(C)c2c1CCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
DRD4 P21917 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1274983 1.00 BRD4 (0.47) BRD4DRD4ALDH1A1SMN1; SMN2MAOA
SCHEMBL30109390 0.88 KDM4E (0.45) BRD4DRD4ALDH1A1MAOAMAOB
SCHEMBL806442 0.88 KDM4E (0.45) BRD4DRD4ALDH1A1MAOAMAOB
SCHEMBL9040852 0.88 BRD4 (0.48) BRD4DRD4ALDH1A1SMN1; SMN2MAOA
SCHEMBL7098070 0.85 BRD4 (0.49) BRD4ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL9448294 0.81 ALDH1A1 (0.62) BRD4ALDH1A1MAPTNPSR1KDM4E
SCHEMBL7653325 0.78 BRD4 (0.39) BRD4DRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4657132 0.78 TSHR (0.42) BRD4ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7661750 0.75 RXRA (0.39) BRD4ALDH1A1MAOAMAOBRXRA
SCHEMBL7098664 0.75 BRD4 (0.43) BRD4CREBBPKDM4EHPGD

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
EP-3561876-B1 DISPLAY NOVALED GMBH (DE) 2022-02-16 EP disclosed