SCHEMBL9096804

SCHEMBL9096804

CN(C)CCOc1ccc(C(O)(c2ccc(OCc3ccccc3)cc2)C(CCO)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ EGFR P00533 2/20 0.45
▸ ESRRB O95718 1/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ESRRG P62508 2/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10818771 0.90 KDM4E (0.55) LTA4HKDM4EPOLBEGFRESRRB
SCHEMBL1152700 0.90 KDM4E (0.55) LTA4HKDM4EPOLBEGFRESRRB
SCHEMBL10828015 0.89 LTA4H (0.50) LTA4HKDM4EPOLBMCHR1EGFR
SCHEMBL11420440 0.87 LTA4H (0.50) LTA4HKDM4EPOLBMCHR1EGFR
SCHEMBL5726548 0.86 ESRRG (0.50) LTA4HKDM4EPOLBEGFRESRRB
SCHEMBL5728005 0.86 ESRRG (0.50) LTA4HKDM4EPOLBESRRBESR1
SCHEMBL9859794 0.85 LTA4H (0.48) LTA4HPOLBALOX5
SCHEMBL5725836 0.84 HRH3 (0.48) LTA4HKDM4EPOLBESRRGBCL2
SCHEMBL5726763 0.83 KDM4E (0.46) LTA4HKDM4EPOLBMCHR1ESRRB
SCHEMBL5725326 0.83 KDM4E (0.46) LTA4HKDM4EPOLBMCHR1ESRRB

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-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US disclosed
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