SCHEMBL349056

SCHEMBL349056

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.76
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 1/20 0.66
ABCB11 O95342 1/20 0.66
NR3C1 P04150 1/20 0.66
PGR P06401 1/20 0.66
HTR2A P28223 1/20 0.66
OPRK1 P41145 1/20 0.66
HTR2B P41595 1/20 0.66
LMNA P02545 2/20 0.61
SHBG P04278 2/20 0.61
SERPINA6 P08185 2/20 0.61
MAPK1 P28482 2/20 0.61
HSD17B3 P37058 2/20 0.61
SNCA P37840 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HSD17B10 Q99714 2/20 0.61

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
SCHEMBL349057 1.00 CYP19A1 (0.76) CYP19A1ALDH1A1KDM4EABCB11NR3C1
SCHEMBL10187417 1.00 CYP19A1 (0.76) CYP19A1ALDH1A1KDM4EABCB11NR3C1
SCHEMBL10603696 0.87 CYP19A1 (0.58) CYP19A1ALDH1A1KDM4EABCB11NR3C1
SCHEMBL42713 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42712 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL2600419 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3275185 0.85 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8980388 0.85 CYP19A1 (0.55) CYP19A1ALDH1A1KDM4EABCB11NR3C1
SCHEMBL8980383 0.85 CYP19A1 (0.55) CYP19A1ALDH1A1KDM4EABCB11NR3C1
SCHEMBL1780130 0.84 CYP17A1 (0.55) CYP19A1ALDH1A1KDM4EABCB11NR3C1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409756-A Rigid spiro compound and preparation method and application thereof 绍兴文理学院 2025-02-11 CN claimed
CN-117051415-A Preparation method of exemestane 台州学院 2023-11-14 CN claimed
CN-112409432-B Synthesis method of exemestane 陕西理工大学 2023-07-07 CN claimed
CN-112409432-A Synthesis method of exemestane 陕西理工大学 2021-02-26 CN claimed
WO-2010076811-A2 PROCESS FOR THE PREPARATION OF EXEMESTANE IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-08 WO claimed
WO-2001004342-A1 PROCESS TO PREPARE EXEMESTANE PHARMACIA & UPJOHN COMPANY (US) 2001-01-18 WO claimed
CN-119409756-A Rigid spiro compound and preparation method and application thereof 绍兴文理学院 2025-02-11 CN disclosed
US-20240238310-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2024-07-18 US disclosed
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
CN-117070482-A 3-sterone-1, 2-dehydrogenase mutant, coding gene, vector and application 黄冈人福药业有限责任公司 2023-11-17 CN disclosed
CN-117070482-A 3-sterone-1, 2-dehydrogenase mutant, coding gene, vector and application 黄冈人福药业有限责任公司 2023-11-17 CN disclosed
CN-117051415-A Preparation method of exemestane 台州学院 2023-11-14 CN disclosed
CN-117051415-A Preparation method of exemestane 台州学院 2023-11-14 CN disclosed
US-4567001-A 16-Methylene-17α-hydroxy-progesterones THE UPJOHN COMPANY (US) 1986-01-28 US disclosed
EP-0148616-A2 Stabilised monolithium acetylide and the ethynylation of steroids THE UPJOHN COMPANY (US) 1985-07-17 EP disclosed
US-4526720-A Process to prepare stabilized monolithium acetylide THE UPJOHN COMPANY (US) 1985-07-02 US disclosed
EP-0104054-A2 16-methylene-steroids and their preparation THE UPJOHN COMPANY (US) 1984-03-28 EP disclosed
EP-0034115-B1 PROCESS FOR THE PREPARATION OF 6-METHYLENE STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-08 EP disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed
EP-0034115-A2 Process for the preparation of 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-19 EP disclosed