SCHEMBL22084415

SCHEMBL22084415

CC1OB(c2ccc(Cn3cc(F)c(=O)[nH]c3=O)cc2)OC1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL22084382 0.85 HPGD (0.38) HPGDLMNAMEN1KMT2A
SCHEMBL22084413 0.84 HPGD (0.38) HPGDLMNAMEN1KMT2A
SCHEMBL22084414 0.83 LPL (0.43) HPGDLMNA
SCHEMBL22084380 0.82 HPGD (0.41) HPGDMEN1KMT2A
SCHEMBL22084689 0.82 HPGD (0.36) HPGDLMNA
SCHEMBL22084391 0.81 HPGD (0.39) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL22084420 0.81 HPGD (0.39) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL22084696 0.81 HPGD (0.45) HPGDMEN1KMT2A
SCHEMBL22084393 0.80 HPGD (0.40) HPGDLMNAMEN1KMT2A
SCHEMBL14826582 0.77 HPGD (0.59) HPGD

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
WO-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 — — WO disclosed
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