SCHEMBL9696142

SCHEMBL9696142

COC1CC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C/C(CC=Cc4ccccc4)C(=O)CCC2C)C(OC)CC3C)CCC1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.82
FKBP4 Q02790 2/20 0.73
PPP3CA Q08209 2/20 0.73
MLNR O43193 1/20 0.73
NR1I2 O75469 1/20 0.73
ABCB11 O95342 1/20 0.73
CYP3A4 P08684 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
ADRB3 P13945 1/20 0.73
CYP3A5 P20815 1/20 0.73
TBXA2R P21731 1/20 0.73
CYP3A7 P24462 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2B P41595 1/20 0.73
MTOR P42345 1/20 0.73
FKBP1B P68106 1/20 0.73
SLC6A3 Q01959 1/20 0.73
FKBP5 Q13451 1/20 0.73
SCN5A Q14524 1/20 0.73

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
SCHEMBL13817857 0.94 FKBP1A (0.83) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9696654 0.93 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9696649 0.93 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9696644 0.93 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9111775 0.92 FKBP1A (0.84) FKBP1AFKBP4PPP3CAMEN1LMNA
SCHEMBL9223335 0.91 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL14037860 0.91 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9223329 0.91 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL14389787 0.91 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2
SCHEMBL9223328 0.91 FKBP1A (0.88) FKBP1AFKBP4PPP3CAMLNRNR1I2

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
WO-1992000313-A1 TRICYCLO COMPOUNDS, A PROCESS FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-09 WO disclosed