SCHEMBL8980383

SCHEMBL8980383

C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)OC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.55
CYP17A1 P05093 1/20 0.53
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB11 O95342 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
HTR2A P28223 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
SHBG P04278 2/20 0.44
SERPINA6 P08185 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B3 P37058 2/20 0.44
SNCA P37840 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL8980388 1.00 CYP19A1 (0.55) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL8760300 0.88 CYP19A1 (0.72) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8760308 0.88 CYP19A1 (0.72) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL349057 0.85 CYP19A1 (0.76) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL349056 0.85 CYP19A1 (0.76) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL10187417 0.85 CYP19A1 (0.76) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL8980429 0.82 CYP19A1 (0.54) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL8980421 0.82 CYP19A1 (0.54) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL1780130 0.80 CYP17A1 (0.55) CYP19A1CYP17A1ALDH1A1KDM4EABCB11
SCHEMBL1780129 0.80 CYP17A1 (0.55) CYP19A1CYP17A1ALDH1A1KDM4EABCB11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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