SCHEMBL29600795

SCHEMBL29600795

C=C(CC(=O)OC1(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ AGBL2 Q5U5Z8 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL24398058 1.00 POLB (0.38) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL29601380 0.95 POLB (0.37) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL24397817 0.95 POLB (0.37) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL29601355 0.90 POLB (0.36) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL24397912 0.90 POLB (0.36) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL26926961 0.89 GAA (0.32) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL24803185 0.85 KMT2A (0.39) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL30304261 0.84 POLB (0.37) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL24802230 0.84 POLB (0.37) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL24802228 0.83 POLB (0.40) POLBGAARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
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