SCHEMBL29087696

SCHEMBL29087696

CCC(C(=O)O)[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 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.43
▸ EPAS1 Q99814 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL29087693 1.00 HIF1A (0.43) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL29087751 0.89 HIF1A (0.41) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL29087753 0.89 HIF1A (0.41) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL26970080 0.87 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL29617642 0.87 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL27136637 0.87 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL29617606 0.87 L3MBTL1 (0.46) HIF1AEPAS1L3MBTL1KDM4EALDH1A1
SCHEMBL29617617 0.80 L3MBTL1 (0.47) HIF1AEPAS1L3MBTL1KDM4EFAAH
SCHEMBL29617639 0.76 CHRM2 (0.46) HIF1AEPAS1KDM4EALDH1A1FAAH
SCHEMBL29087736 0.76 CHRM2 (0.46) HIF1AEPAS1KDM4EALDH1A1FAAH

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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