SCHEMBL26028564

SCHEMBL26028564

CC(CCc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RORC P51449 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38

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
SCHEMBL24490057 0.83 NPC1 (0.48) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL24490258 0.81 NPC1 (0.48) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8252614 0.81 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19088469 0.77 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL14405808 0.74 NPC1 (0.58) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7812585 0.74 NPC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29540939 0.73 NPC1 (0.51) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18256541 0.73 NPC1 (0.51) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18248082 0.73 NPC1 (0.53) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19827366 0.71 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2MAPK1

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-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 — — EP disclosed
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