SCHEMBL6136280

SCHEMBL6136280

O=C(NCc1ccc(Cc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.49
▸ ERCC4 Q92889 1/20 0.49
▸ MTOR P42345 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CHRM1 P11229 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ LSS P48449 1/20 0.46
▸ NAMPT P43490 4/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ POLA1 P09884 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CNR1 P21554 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
SCHEMBL6136378 0.95 MTOR (0.48) ERCC1ERCC4MTORRAB9APOLB
SCHEMBL6136240 0.90 NPC1 (0.53) MTORRAB9APOLBNPC1NAMPT
SCHEMBL6136254 0.90 TRPV1 (0.47) MTORRAB9APOLBNPC1ESR1
SCHEMBL6136146 0.88 SMN1; SMN2 (0.52) RAB9APOLBNPC1NAMPTESR1
SCHEMBL6136184 0.84 CNR1 (0.54) RAB9ANPC1MEN1KMT2ATRPV1
SCHEMBL6136079 0.83 ESR1 (0.42) MTORLSSESR1ESR2POLA1
SCHEMBL6136478 0.82 MTOR (0.48) MTORLSSESR1ESR2TRPV1
SCHEMBL6136359 0.82 KMT2A (0.53) MTORRAB9APOLBMEN1KMT2A
SCHEMBL6136358 0.81 TRPV1 (0.43) POLBESR1ESR2MEN1KMT2A
SCHEMBL6136061 0.81 ESR1 (0.41) ESR1ESR2POLA1MEN1KMT2A

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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