SCHEMBL6136033

SCHEMBL6136033

COc1ccc(NC(=O)NCCc2cccc(Cc3c(-c4ccc(O)cc4)ccc4cc(O)ccc34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.49
▸ FPR2 P25090 4/20 0.47
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL6136126 0.93 TRPV1 (0.47) CNR1TRPV1ROCK2ROCK1ESR1
SCHEMBL6136136 0.89 TRPV1 (0.50) CNR1MEN1KMT2ATRPV1ROCK2
SCHEMBL6136184 0.89 CNR1 (0.54) CNR1MEN1KMT2ATRPV1HTT
SCHEMBL6136146 0.85 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1POLBROCK2
SCHEMBL6136417 0.85 NPY5R (0.45) ROCK2ROCK1ESR1ESR2MAPT
SCHEMBL6136157 0.85 ESR1 (0.40) ROCK2ESR1ESR2OPRM1OPRD1
SCHEMBL6136274 0.84 ROCK2 (0.41) TRPV1ROCK2ROCK1ESR1ESR2
SCHEMBL6136383 0.78 NPY5R (0.43) TRPV1ROCK2ROCK1ESR1ESR2
SCHEMBL6135927 0.78 ESR1 (0.38) TRPV1ROCK2ROCK1ESR1ESR2
SCHEMBL6136378 0.77 MTOR (0.48) POLBTRPV1ROCK2ROCK1ESR1

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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