SCHEMBL29087751

SCHEMBL29087751

CCC(C(=O)OC)[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.41
▸ EPAS1 Q99814 3/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 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
SCHEMBL29087753 1.00 HIF1A (0.41) HIF1AEPAS1DNMT1EHMT2L3MBTL1
SCHEMBL29087693 0.89 HIF1A (0.43) HIF1AEPAS1DNMT1EHMT2L3MBTL1
SCHEMBL29087696 0.89 HIF1A (0.43) HIF1AEPAS1DNMT1EHMT2L3MBTL1
SCHEMBL29617617 0.88 L3MBTL1 (0.47) HIF1AEPAS1L3MBTL1CYP3A4KDM4E
SCHEMBL29617642 0.80 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4ETEAD1
SCHEMBL29617606 0.80 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4ETEAD1
SCHEMBL27136637 0.80 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4ETEAD1
SCHEMBL26970080 0.80 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4ETEAD1
SCHEMBL32661391 0.77 KDM4E (0.48) DNMT1EHMT2L3MBTL1CYP3A4KDM4E
SCHEMBL29617620 0.77 KDM4E (0.43) HIF1AEPAS1DNMT1EHMT2L3MBTL1

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
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 — — CN disclosed
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