SCHEMBL8400248

SCHEMBL8400248

COc1ccc(-c2c(NC(=O)CN3CCCCC3)cc3cc(OC)ccc3c2Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.49
KDR P35968 5/20 0.49
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
ESR1 P03372 1/20 0.47
KCNA5 P22460 1/20 0.46

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
SCHEMBL8402303 0.94 KMT2A (0.50) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8402296 0.87 MEN1 (0.54) KMT2AMEN1GAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8403682 0.86 MEN1 (0.53) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8594724 0.86 MEN1 (0.53) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8401838 0.84 MEN1 (0.55) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8399991 0.83 ACP1 (0.54) ESR1
Hydrochloric Acid SCHEMBL8399940 0.83 ACP1 (0.53) ESR1
SCHEMBL8403815 0.82 MEN1 (0.53) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8399903 0.80 ACP1 (0.49) ESR1
SCHEMBL7928850 0.79 KDR (0.63) KMT2AMEN1ALDH1A1KDM4EGLA

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