SCHEMBL7240204

SCHEMBL7240204

O=C(CC(CC(=O)c1ccccc1O)c1ccc(F)c(F)c1)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 5/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL7234472 0.79 KMT2A (0.45) ALDH1A1MAPTLMNATSHRMAPK1
SCHEMBL7233106 0.77 HSD17B14 (0.46) ALDH1A1MAPTLMNATSHRKDM4E
SCHEMBL7902879 0.73 KMT2A (0.56) ALDH1A1MAPTLMNATSHRMAPK1
SCHEMBL15979681 0.72 KDM4E (0.58) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL7809416 0.65 GABBR2 (0.47) LMNATSHRKMT2ACYP1A2GAA
SCHEMBL11078226 0.64 CES2 (0.46) ALDH1A1
SCHEMBL7809414 0.63 TACR1 (0.47) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL29005627 0.63 ALDH1A1 (0.50) ALDH1A1MAPTLMNATSHRMAPK1
SCHEMBL14073806 0.62 ALDH1A1 (0.56) ALDH1A1MAPTLMNATSHRMAPK1
SCHEMBL27750806 0.62 ERCC5 (0.47) ALDH1A1MAPTLMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503917-B1 Post-menopause, atherosclerosis, osteoporosis, and Alzheimer*s disease treatment WYETH, FIVE GIRALDA FARMS 2003-01-07 US disclosed
US-6384058-B1 COMPOUNDS AS ESTROGENS FOR TREATMENT OF DEFICIENCY AMERICAN HOME PRODUCTS CORPORATION 2002-05-07 US disclosed
US-6384057-B1 COMPOUNDS AS ESTROGENS FOR TREATMENT OF DEFICIENCY AMERICAN HOME PRODUCTS CORPORATION 2002-05-07 US disclosed
US-6384060-B1 COMPOUNDS AS ESTROGENS FOR TREATMENT OF DEFICIENCY AMERICAN HOME PRODUCTS CORPORATION 2002-05-07 US disclosed
WO-1999032447-A2 2,4,6-TRISUBSTITUTED PYRIDINES WITH ESTROGENIC ACTIVITY AND METHODS FOR THE SOLID PHASE SYNTHESIS THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-01 WO disclosed