SCHEMBL9558249

SCHEMBL9558249

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(Br)C[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
HSD17B1 P14061 4/20 0.69
MAPT P10636 1/20 0.69
RECQL P46063 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ESR1 P03372 4/20 0.62
HSD17B10 Q99714 1/20 0.62
STS P08842 4/20 0.56
ABCC4 O15439 2/20 0.56
ABCC1 P33527 2/20 0.56
CYP2C9 P11712 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
CNR1 P21554 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL14652461 1.00 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11231177 0.88 HSD17B1 (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15979565 0.88 HSD17B1 (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11481676 0.88 SMN1; SMN2 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8519476 0.88 SMN1; SMN2 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5168726 0.88 STS (0.71) ESR1STSABCC4ABCC1CYP2C9
SCHEMBL309293 0.87 HSD17B1 (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11865928 0.87 ESR1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL309294 0.87 HSD17B1 (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7933639 0.87 HSD17B1 (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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-5272140-A 11-aryl steroid derivatives AKZO N.V. (NL) 1993-12-21 US disclosed
EP-0277676-B1 NEW LL-ARYL STEROID DERIVATIVES AKZO N.V. (NL) 1992-03-04 EP disclosed
EP-0277676-A1 New ll-aryl steroid derivatives AKZO N.V. (NL) 1988-08-10 EP disclosed