SCHEMBL4749406

SCHEMBL4749406

C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 1.00
▸ ESR1 P03372 7/20 0.82
▸ ESR2 Q92731 6/20 0.82
▸ LMNA P02545 4/20 0.82
▸ MEN1 O00255 3/20 0.82
▸ MAPT P10636 3/20 0.82
▸ KMT2A Q03164 3/20 0.82
▸ GAA P10253 2/20 0.82
▸ KDM4E B2RXH2 1/20 0.82
▸ POLB P06746 1/20 0.82
▸ G6PD P11413 1/20 0.82
▸ PKM P14618 1/20 0.82
▸ MAPK1 P28482 1/20 0.82
▸ RAB9A P51151 1/20 0.82
▸ DAB2IP Q5VWQ8 1/20 0.82
▸ ADCY10 Q96PN6 1/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ SHBG P04278 3/20 0.75
▸ HSD17B10 Q99714 5/20 0.72
▸ TSHR P16473 3/20 0.72

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
SCHEMBL6542278 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL29565170 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL15491309 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225052 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL6010005 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL13123058 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225053 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL12027476 0.90 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL4206793 0.87 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL5025553 0.87 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014131891-A1 USE OF FETUIN-B FOR CULTURE OF OOCYTES Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2014-09-04 — — WO claimed
US-20040223983-A1 Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 — — US claimed
WO-2014131891-A1 USE OF FETUIN-B FOR CULTURE OF OOCYTES Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2014-09-04 — — WO disclosed
WO-2008141318-A1 DEVICE FOR DETERMINING RISK OF DEVELOPING BREAST CANCER AND METHOD THEREOF DR. SUSAN LOVE RESEARCH FOUNDATION (US) 2008-11-20 — — WO disclosed
US-20040223983-A1 Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 — — US disclosed
US-4522758-A Method of preparing 2-fluoro-17β-estradiol ELI LILLY AND COMPANY (US) 1985-06-11 — — US disclosed
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