SCHEMBL6136254

SCHEMBL6136254

O=C(NCc1ccc(Cc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.47
▸ MTOR P42345 2/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RORC P51449 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 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 0.95 MTOR (0.48) TRPV1MTORNPC1RAB9APOLB
SCHEMBL6136280 0.90 ERCC1 (0.49) TRPV1MTORNPC1RAB9AMEN1
SCHEMBL6136240 0.90 NPC1 (0.53) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL6136146 0.88 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6136136 0.84 TRPV1 (0.50) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL6136484 0.82 ESR1 (0.44) TRPV1MAOBRORCESR1ESR2
SCHEMBL6136359 0.81 KMT2A (0.53) TRPV1MTORRAB9AMEN1KMT2A
SCHEMBL6136147 0.81 MTOR (0.61) TRPV1MTORTP53ESR1ESR2
SCHEMBL6136472 0.81 EPHX1 (0.44) TRPV1MEN1KMT2ASMN1; SMN2MAOB
SCHEMBL6136126 0.80 TRPV1 (0.47) TRPV1NPC1RAB9ASMN1; SMN2ESR1

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 6 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
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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