SCHEMBL23493014

SCHEMBL23493014

COC(=O)c1cccc(CC(C)CNCC(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.52
▸ TSHR P16473 3/20 0.52
▸ RAB9A P51151 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 2/20 0.43

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 0.91 FOLH1 (0.46) RAB9AFOLH1SLC6A2SLC6A3KMT2A
SCHEMBL23491940 0.83 RAB9A (0.44) TSHRRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23491965 0.81 BCL9 (0.40) ALDH1A1
SCHEMBL23491248 0.78 CYP1A2 (0.39) RAB9AMAPTALDH1A1KMT2AGLA
SCHEMBL23493133 0.78 GABRP (0.40) ALDH1A1KMT2A
SCHEMBL18465773 0.78 MAPT (0.50) RAB9AMAPTSMN1; SMN2ALDH1A1SLC6A2
SCHEMBL23491900 0.78 CYP1A2 (0.52) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2790847 0.77 MAPT (0.56) TSHRRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6669062 0.76 RAB9A (0.75) SLC7A5TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL8050669 0.76 ALDH1A1 (0.53) RAB9AMAPTALDH1A1SLC6A2SLC6A3

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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