SCHEMBL8401754

SCHEMBL8401754

COc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccccc2NCCN2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.57
ESR2 Q92731 17/20 0.57
ACP1 P24666 3/20 0.45

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
SCHEMBL8399895 0.95 ESR1 (0.55) ESR1ESR2ACP1
SCHEMBL8399990 0.93 ACP1 (0.50) ESR1ESR2ACP1
SCHEMBL8403331 0.93 ESR1 (0.60) ESR1ESR2ACP1
Hydrochloric Acid SCHEMBL8399939 0.92 ACP1 (0.49) ESR1ESR2ACP1
SCHEMBL8519430 0.92 ESR1 (0.59) ESR1ESR2ACP1
SCHEMBL8405721 0.92 ESR1 (0.56) ESR1ESR2ACP1
SCHEMBL8400250 0.90 ESR1 (0.54) ESR1ESR2
SCHEMBL8403142 0.89 ACP1 (0.49) ESR1ESR2ACP1
SCHEMBL8403819 0.88 ESR1 (0.63) ESR1ESR2ACP1
SCHEMBL8403320 0.88 ESR1 (0.58) ESR1ESR2ACP1

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-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed