SCHEMBL29623599

SCHEMBL29623599

CC(C)(C)c1ccc(N(c2ccc(C(=O)CC(=O)C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 3/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ PLOD3 O60568 2/20 0.50
▸ PLOD1 Q02809 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HDAC1 Q13547 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL28718057 0.91 PLOD2 (0.66) PLOD2NPC1RAB9AMAPTLMNA
SCHEMBL22805019 0.83 PLOD2 (0.60) PLOD2NPC1RAB9AMAPTALDH1A1
SCHEMBL976028 0.77 RAB9A (0.68) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL313164 0.77 PLOD2 (0.70) PLOD2MAPTALDH1A1PLOD3PLOD1
SCHEMBL450084 0.77 RAB9A (0.85) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL782256 0.76 NR1H4 (0.49) PLOD2NPC1RAB9AMAPTLMNA
SCHEMBL4588764 0.74 PLOD2 (0.66) PLOD2NPC1RAB9ALMNAALDH1A1
SCHEMBL1593867 0.74 PLOD2 (0.70) PLOD2NPC1RAB9AMAPTLMNA
SCHEMBL1177177 0.73 RAB9A (0.72) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL19888140 0.73 CA1 (0.57) NPC1MAPTLMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986875-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2022-04-27 — — EP disclosed
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