SCHEMBL10404371

SCHEMBL10404371

C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
SHBG P04278 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
EFNA1 P20827 1/20 0.45
EPHA2 P29317 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4996284 1.00 CYP19A1 (0.51) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL27559513 1.00 CYP19A1 (0.51) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL4996289 1.00 CYP19A1 (0.51) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL10405242 0.86 CYP19A1 (0.48) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL10405243 0.86 CYP19A1 (0.48) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL31164338 0.86 CYP19A1 (0.48) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL14677734 0.82 SERPINA6 (0.50) SHBGMAPK1POLBLMNAHSD17B10
SCHEMBL21807731 0.81 CYP19A1 (0.54) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL10402803 0.81 SHBG (0.60) CYP19A1SHBGMAPK1POLBLMNA
SCHEMBL497738 0.81 CYP19A1 (0.54) CYP19A1SHBGMAPK1POLBLMNA

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-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed