SCHEMBL29384777

SCHEMBL29384777

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ RAB9A P51151 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ F10 P00742 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ NR1H2 P55055 2/20 0.48
▸ NR1H3 Q13133 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PARP14 Q460N5 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47

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
SCHEMBL15578345 1.00 L3MBTL1 (0.62) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL15578359 0.86 L3MBTL1 (0.57) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL16933469 0.83 L3MBTL1 (0.58) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL15578406 0.80 MLYCD (0.53) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL12201868 0.78 L3MBTL1 (0.62) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL3936634 0.76 AKR1C3 (0.51) L3MBTL1RAB9AALDH1A1KMT2AMEN1
SCHEMBL29387446 0.75 L3MBTL1 (0.48) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL16933575 0.75 L3MBTL1 (0.48) L3MBTL1RAB9AALDH1A1TSHRKMT2A
SCHEMBL15577951 0.74 F10 (0.49) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL29386858 0.74 HDAC8 (0.51) RAB9AALDH1A1TSHRHTTF10

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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