SCHEMBL8638947

SCHEMBL8638947

O=C(O)Cc1cccc2c1CCCCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.54
RXRA P19793 7/20 0.54
RXRG P48443 6/20 0.54
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
AKR1B1 P15121 1/20 0.44
TBXA2R P21731 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3408719 0.98 RXRB (0.55) RXRBRXRARXRGBCL2L1BAD
SCHEMBL28739318 0.95 RXRB (0.55) RXRBRXRARXRGBCL2L1BAD
SCHEMBL10863869 0.83 ALDH1A1 (0.55) RXRBRXRARXRGBCL2L1BAD
SCHEMBL5659543 0.81 RXRB (0.59) RXRBRXRARXRGLMNASMN1; SMN2
SCHEMBL6662229 0.79 ALDH1A1 (0.51) RXRBRXRARXRGBCL2L1BAD
SCHEMBL19212186 0.79 RXRB (0.43) RXRBRXRARXRGBCL2L1BAD
SCHEMBL30150923 0.79 RXRB (0.43) RXRBRXRARXRGBCL2L1BAD
SCHEMBL9181008 0.79 ALDH1A1 (0.47) RXRBRXRARXRGBCL2L1BAD
SCHEMBL5753897 0.78 BCL2L1 (0.53) RXRBRXRARXRGBCL2L1BAD
SCHEMBL8481831 0.77 ALDH1A1 (0.44) RXRBRXRARXRGBCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed