SCHEMBL6136146

SCHEMBL6136146

COc1ccc(NC(=O)NCc2ccc(Cc3c(-c4ccc(O)cc4)ccc4cc(O)ccc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ ESR2 Q92731 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ NAMPT P43490 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CSF1R P07333 1/20 0.43

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
SCHEMBL6136378 0.92 MTOR (0.48) NPC1RAB9AROCK2HDAC1HDAC6
SCHEMBL6136240 0.90 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6136280 0.88 ERCC1 (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6136254 0.88 TRPV1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6136033 0.85 CNR1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6136242 0.84 ESR1 (0.47) NPC1RAB9AMEN1KMT2AROCK2
SCHEMBL6136139 0.84 MTOR (0.47) SMN1; SMN2MEN1KMT2AROCK2HTT
SCHEMBL6136296 0.82 ESR1 (0.45) NPC1RAB9AMEN1KMT2AROCK2
SCHEMBL6136103 0.82 ESR1 (0.45) ROCK2ESR1ESR2SAE1UBA2
SCHEMBL6136359 0.78 KMT2A (0.53) RAB9AMEN1KMT2AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 — — EP claimed
US-6509356-B1 Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound ELI LILLY AND COMPANY 2003-01-21 — — US claimed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 — — EP claimed
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 — — EP disclosed
US-6509356-B1 Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound ELI LILLY AND COMPANY 2003-01-21 — — US disclosed
WO-1999007377-A1 1-[4-(SUBSTITUTED ALKOXY)BENZYL]NAPHTHALENE COMPOUNDS HAVING ESTROGEN INHIBITORY ACTIVITY ELI LILLY AND COMPANY (US) 1999-02-18 — — WO disclosed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 — — EP disclosed
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