SCHEMBL8994121

SCHEMBL8994121

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NCC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.68
CYP3A4 P08684 7/20 0.68
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MAPT P10636 5/20 0.68
MAPK1 P28482 4/20 0.68
TSHR P16473 4/20 0.68
SHBG P04278 4/20 0.68
SERPINA6 P08185 4/20 0.68
NR3C1 P04150 4/20 0.68
PGR P06401 4/20 0.68
AR P10275 3/20 0.68
GPBAR1 Q8TDU6 3/20 0.68
SIGMAR1 Q99720 3/20 0.68
CYP2C9 P11712 2/20 0.68
HIF1A Q16665 2/20 0.68
ABCB11 O95342 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
NR1I2 O75469 2/20 0.68

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
SCHEMBL8994126 1.00 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL950018 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL951666 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL950022 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL951668 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL12911353 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL950020 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL5692658 0.85 LMNA (0.69) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8994192 0.85 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8994186 0.85 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT

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-0721460-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-17 EP disclosed
WO-1996003420-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA S.P.A. (IT) 1996-02-08 WO disclosed