SCHEMBL9372769

SCHEMBL9372769

Cc1cc(Cl)ccc1OCC(O)(c1cccnc1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ CYP19A1 P11511 9/20 0.48
▸ CYP3A4 P08684 5/20 0.43
▸ CYP3A5 P20815 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KCNA5 P22460 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL9372057 0.89 CYP19A1 (0.49) LMNACYP19A1CYP3A4CYP3A5SMN1; SMN2
SCHEMBL9372144 0.84 NOTUM (0.46) CYP19A1CYP3A4SMN1; SMN2KDM4EKCNA5
SCHEMBL9301221 0.81 LMNA (0.46) LMNACYP19A1CYP3A4CYP3A5SMN1; SMN2
SCHEMBL9375772 0.79 POLB (0.41) CYP19A1CYP3A4CYP3A5SMN1; SMN2KCNA5
SCHEMBL10730274 0.77 CYP19A1 (0.44) CYP19A1CYP3A4CYP3A5KCNA5
SCHEMBL12792525 0.76 S1PR4 (0.40) CYP19A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10999210 0.75 KCNA5 (0.47) LMNACYP19A1CYP3A4KDM4EKCNA5
SCHEMBL12963162 0.73 CYP19A1 (0.44) LMNACYP19A1SMN1; SMN2KDM4E
SCHEMBL12792714 0.72 CYP19A1 (0.43) LMNACYP19A1SMN1; SMN2KDM4E
SCHEMBL933064 0.72 CYP19A1 (0.43) LMNACYP19A1CYP3A4CYP3A5KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438122-A Combating fungi with 1-phenoxy-2-pyridinyl-alkanols BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 — — US claimed
EP-0302366-B1 Substituted pyridine derivatives BAYER AG (DE) 1994-09-14 — — EP disclosed
EP-0412820-B1 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-03-02 — — EP disclosed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 — — US disclosed
US-5047544-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
US-5036073-A For agricultural use BAYER AKTIENGESELLSCHAFT (DE) 1991-07-30 — — US disclosed
EP-0412820-A2 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 — — EP disclosed
EP-0337229-A2 Substituted pyri(mi)dines BAYER AG (DE) 1989-10-18 — — EP disclosed
EP-0302366-A2 Substituted pyridine derivatives BAYER AG (DE) 1989-02-08 — — EP disclosed
EP-0302365-A2 Substituted pyridines BAYER AG (DE) 1989-02-08 — — EP disclosed
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