SCHEMBL8803306

SCHEMBL8803306

CCN(CC)C(=O)NC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.68
CYP3A4 P08684 8/20 0.68
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MAPT P10636 5/20 0.68
TSHR P16473 5/20 0.68
NR3C1 P04150 5/20 0.68
PGR P06401 5/20 0.68
MAPK1 P28482 4/20 0.68
SHBG P04278 4/20 0.68
SERPINA6 P08185 4/20 0.68
AR P10275 4/20 0.68
CYP2C9 P11712 3/20 0.68
GPBAR1 Q8TDU6 3/20 0.68
SIGMAR1 Q99720 3/20 0.68
NR1I2 O75469 3/20 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

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
SCHEMBL8803302 1.00 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8803310 1.00 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8802536 0.89 LMNA (0.72) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8802540 0.89 LMNA (0.72) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8802547 0.89 LMNA (0.72) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL7531953 0.88 CYP3A4 (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL11157648 0.88 CYP3A4 (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL7531942 0.88 CYP3A4 (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8804072 0.86 LMNA (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8804080 0.86 LMNA (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540717-B1 UNSATURATED 17$g(b)-SUBSTITUTED 3-CARBOXY STEROIDS PHARMACIA & UPJOHN SPA (IT) 1997-07-23 EP disclosed
US-5212166-A Antiandrogens or 5-alpha reductase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1993-05-18 US disclosed
EP-0540717-A1 UNSATURATED 17-g(b)-SUBSTITUTED 3-CARBOXY STEROIDS. ERBA CARLO SPA (IT) 1993-05-12 EP disclosed
EP-0517047-A1 Unsaturated 17beta-substituted 3-carboxy steroids FARMITALIA CARLO ERBA S.r.l. (IT) 1992-12-09 EP disclosed
WO-1992020700-A1 UNSATURATED 17β-SUBSTITUTED 3-CARBOXY STEROIDS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-26 WO disclosed