SCHEMBL11367016

SCHEMBL11367016

O=C(OCCCc1cccc2c1CCCC2)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
MCL1 Q07820 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
TBXA2R P21731 1/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
HPGD P15428 1/20 0.36
S1PR5 Q9H228 3/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL11767061 0.76 RXRB (0.41) MCL1LMNASMN1; SMN2RXRARXRB
SCHEMBL2099150 0.74 BCL2L1 (0.38) MCL1LMNASMN1; SMN2RXRARXRB
SCHEMBL11357112 0.74 BCL2L1 (0.38) NR1D1MCL1LMNASMN1; SMN2RXRA
SCHEMBL11355027 0.73 BCL2L1 (0.48) LMNASMN1; SMN2RXRARXRBRXRG
SCHEMBL9720039 0.72 BCL2L1 (0.54) LMNASMN1; SMN2RXRARXRBRXRG
SCHEMBL6003271 0.71 BCL2L1 (0.38) MTNR1AMTNR1BMCL1LMNASMN1; SMN2
SCHEMBL2091729 0.71 LMNA (0.40) NR1D1MCL1LMNASMN1; SMN2RXRA
SCHEMBL3887208 0.70 RXRB (0.45) MCL1LMNASMN1; SMN2RXRARXRB
SCHEMBL28514277 0.70 LMNA (0.60) LMNASMN1; SMN2ALDH1A1
SCHEMBL2486276 0.70 DRD2 (0.48) MTNR1AMTNR1BTBXA2RS1PR5

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-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed