SCHEMBL8760349

SCHEMBL8760349

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)NC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 7/20 0.67
LMNA P02545 7/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
HSD17B10 Q99714 6/20 0.67
ALDH1A1 P00352 6/20 0.67
TSHR P16473 6/20 0.67
CYP19A1 P11511 5/20 0.67
SERPINA6 P08185 5/20 0.67
MAPK1 P28482 5/20 0.67
SNCA P37840 4/20 0.67
PMP22 Q01453 4/20 0.67
NPSR1 Q6W5P4 4/20 0.67
BLM P54132 3/20 0.67
HSD17B3 P37058 2/20 0.67
NR3C1 P04150 6/20 0.62
PGR P06401 6/20 0.62
ADRA1A P35348 2/20 0.62
HTR2B P41595 2/20 0.62
CYP3A4 P08684 6/20 0.60
AR P10275 5/20 0.60

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
SCHEMBL8760343 1.00 SHBG (0.67) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL930380 0.81 SMN1; SMN2 (0.73) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL930379 0.81 SMN1; SMN2 (0.73) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL13753017 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL9310209 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL11876371 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL12367193 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL12153462 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL13752932 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1
Androstenedione SCHEMBL21265627 0.81 CYP19A1 (1.00) SHBGLMNASMN1; SMN2HSD17B10ALDH1A1

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