SCHEMBL8760308

SCHEMBL8760308

C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@H]2CC[C@]2(C)C(=O)OC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.72
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SHBG P04278 2/20 0.46
SERPINA6 P08185 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B3 P37058 2/20 0.46
SNCA P37840 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8760300 1.00 CYP19A1 (0.72) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8980388 0.88 CYP19A1 (0.55) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8980383 0.88 CYP19A1 (0.55) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL2600419 0.84 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42712 0.84 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42713 0.84 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8759450 0.81 CYP19A1 (0.70) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8759457 0.81 CYP19A1 (0.70) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8759486 0.81 CYP19A1 (0.71) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8759492 0.81 CYP19A1 (0.71) CYP19A1ALDH1A1LMNASHBGSERPINA6

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
EP-0582713-B1 -New D-homo-17-oxa and D-homo-17-aza-androstane derivatives TEIKOKU HORMONE MFG CO LTD (JP) 1997-06-04 EP disclosed
US-5519051-A AROMATASE INHIBITORS USEFUL FOR TREATMENT OF DISEASES CAUSED BY EXCESS OF ESTROGEN, FOR EXAMPLE, BREAST CANCER, UTERINE CANCER TEIKOKU HORMONE MFG. CO., LTD. (JP) 1996-05-21 US disclosed
EP-0582713-A1 NOVEL OXA- OR AZASTEROID DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1994-02-16 EP disclosed