SCHEMBL10999210

SCHEMBL10999210

CC(C)(C)C(O)(COc1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.47
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL933064 0.88 CYP19A1 (0.43) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10656053 0.85 CYP19A1 (0.40) KCNA5CYP19A1LMNA
SCHEMBL9372144 0.82 NOTUM (0.46) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10697743 0.81 KCNA5 (0.58) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9375772 0.80 POLB (0.41) KCNA5CYP3A4CYP19A1
Hydrochloric Acid SCHEMBL10567073 0.79 KCNA5 (0.56) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9299239 0.78 KCNA5 (0.49) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9372057 0.76 CYP19A1 (0.49) KCNA5CYP3A4CYP19A1LMNA
SCHEMBL9372769 0.75 LMNA (0.48) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9373572 0.75 CYP3A4 (0.50) KCNA5CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518600-A Combating fungi with 1-phenoxy-2-pyrimidinyl alkanols BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 — — US disclosed
US-4438122-A Combating fungi with 1-phenoxy-2-pyridinyl-alkanols BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 — — US disclosed
EP-0001399-B1 PHENOXY-PYRIDINYL-ALCANOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1982-11-10 — — EP disclosed
EP-0001399-A1 Phenoxy-pyridinyl-alcanols, process for their preparation and their use as fungicides BAYER AG (DE) 1979-04-18 — — EP disclosed
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