SCHEMBL28768087

SCHEMBL28768087

Cc1ccc(-c2ccc3c(c2)C(OC(N)=O)CCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CCR5 P51681 3/20 0.35
▸ TERT O14746 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL28768377 0.88 HDAC3 (0.39) KDM4CRAB9ACTNNB1SMN1; SMN2LMNA
SCHEMBL28768233 0.88 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTTERT
SCHEMBL28768179 0.87 TSHR (0.43) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28768101 0.84 TP53 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL28769275 0.84 KIF11 (0.43) KDM4CCCR5
SCHEMBL28943632 0.82 HCRTR2 (0.40) —
SCHEMBL28768216 0.82 KDM4C (0.41) KDM4CNPC1RAB9ACTNNB1WNT3A
SCHEMBL28768223 0.82 MAP3K14 (0.39) NPC1RAB9ALMNAMAPTHPGD
SCHEMBL28768299 0.82 TSHR (0.41) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28768358 0.79 ADRA2A (0.42) KDM4CTSHRNPC1RAB9ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114641477-B Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 — — CN claimed
CN-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 — — CN claimed
CN-114641477-B Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 — — CN disclosed
CN-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 — — CN disclosed
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