SCHEMBL8399990

SCHEMBL8399990

COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccccc2NCCN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.50
ESR1 P03372 11/20 0.47
ESR2 Q92731 11/20 0.47
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 1/20 0.42

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 SCHEMBL8399939 0.99 ACP1 (0.49) ACP1ESR1ESR2KCNH2HRH3
SCHEMBL8399895 0.95 ESR1 (0.55) ACP1ESR1ESR2
SCHEMBL8401754 0.93 ESR1 (0.57) ACP1ESR1ESR2
SCHEMBL8403142 0.93 ACP1 (0.49) ACP1ESR1ESR2KCNH2HRH3
SCHEMBL8405721 0.86 ESR1 (0.56) ACP1ESR1ESR2
SCHEMBL8403331 0.85 ESR1 (0.60) ACP1ESR1ESR2
SCHEMBL7937056 0.85 ESR1 (0.55) ACP1ESR1ESR2
SCHEMBL8519430 0.84 ESR1 (0.59) ACP1ESR1ESR2
Hydrochloric Acid SCHEMBL7937091 0.84 ESR1 (0.54) ACP1ESR1ESR2
SCHEMBL8400250 0.83 ESR1 (0.54) ESR1ESR2

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