SCHEMBL23491940

SCHEMBL23491940

CC(CNCC(=O)OCc1ccccc1)Cc1cccc(C(=O)N2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42

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
SCHEMBL23491962 0.85 FOLH1 (0.46) RAB9AKMT2A
SCHEMBL23493014 0.83 SLC7A5 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL23491965 0.78 BCL9 (0.40) ALDH1A1HTR1AMAPK1L3MBTL1
SCHEMBL23491248 0.76 CYP1A2 (0.39) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL23491900 0.75 CYP1A2 (0.52) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23493133 0.73 GABRP (0.40) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL19421520 0.72 KMT2A (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL8050669 0.72 ALDH1A1 (0.53) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10224082 0.71 HPGD (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL13533212 0.71 HPGD (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA

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-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
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