SCHEMBL29387446

SCHEMBL29387446

CC(C)(NC(=O)OC1CCN2CCC1CC2)c1cccc(Oc2cccc(C(=O)N3CCOCC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ NTMT1 Q9BV86 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
SCHEMBL16933575 1.00 L3MBTL1 (0.48) L3MBTL1RAB9ANR1H2NR1H3ALDH1A1
SCHEMBL15577911 0.94 L3MBTL1 (0.47) L3MBTL1RAB9AALDH1A1NTMT1
SCHEMBL15578271 0.85 ALDH1A1 (0.42) ALDH1A1NSD2LMNANTMT1
SCHEMBL16933485 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AEPHX2LMNA
SCHEMBL29384728 0.85 ALDH1A1 (0.42) ALDH1A1NSD2LMNANTMT1
SCHEMBL16933663 0.84 ALDH1A1 (0.41) ALDH1A1NSD2LMNAMAPTNTMT1
SCHEMBL29387286 0.84 ALDH1A1 (0.41) ALDH1A1NSD2LMNAMAPTNTMT1
SCHEMBL16933468 0.81 NTMT1 (0.44) ALDH1A1EPHX2LMNANTMT1
SCHEMBL16933469 0.81 L3MBTL1 (0.58) L3MBTL1RAB9ANR1H2NR1H3ALDH1A1
SCHEMBL15578307 0.78 RAB9A (0.46) L3MBTL1RAB9ANR1H2NR1H3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114533729-A Glucosylceramide synthase inhibitors 建新公司 2022-05-27 — — CN disclosed
CN-108864076-B Glucosylceramide synthase inhibitors 建新公司 2022-02-11 — — CN disclosed
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