SCHEMBL6772738

SCHEMBL6772738

CN1C(=O)C[C@H](c2ccccc2F)[C@@H]1C(O)c1ccc(-c2cccnc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 20/20 1.00

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
Hydrochloric Acid SCHEMBL512608 0.99 HSD17B2 (0.98) HSD17B2
SCHEMBL12687971 0.90 HSD17B2 (1.00) HSD17B2
SCHEMBL512945 0.90 HSD17B2 (1.00) HSD17B2
SCHEMBL512773 0.87 HSD17B2 (1.00) HSD17B2
SCHEMBL511895 0.87 HSD17B2 (1.00) HSD17B2
SCHEMBL511964 0.87 HSD17B2 (1.00) HSD17B2
SCHEMBL7048359 0.87 HSD17B2 (1.00) HSD17B2
Hydrochloric Acid SCHEMBL513279 0.86 HSD17B2 (0.98) HSD17B2
SCHEMBL511942 0.84 HSD17B2 (0.73) HSD17B2
SCHEMBL512877 0.82 HSD17B2 (0.77) HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784167-B2 TREATING OSTEOPOROSIS, OSTEOPENIA, OVARIAN CANCER, BREAST CANCER, ENDOMETRIAL CANCER, ENDOMETRIOSIS, PROSTATE CANCER, ACNE, ANDROGEN-DEPENDENT HAIR LOSS, NON-INSULIN-DEPENDENT DIABETES MELLITUS, OR HYPERCHOLESTEROLEMIA. BAYER PHARMACEUTICALS CORPORATION 2004-08-31 US claimed