SCHEMBL12698754

SCHEMBL12698754

CC(C)c1ccc(NC(=O)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ FFAR1 O14842 2/20 0.62
▸ TP53 P04637 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ GLA P06280 1/20 0.62
▸ NR1H4 Q96RI1 5/20 0.59
▸ HPSE Q9Y251 1/20 0.59
▸ AGBL2 Q5U5Z8 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ PARP1 P09874 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP26A1 O43174 1/20 0.50

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
SCHEMBL12700261 0.85 TP53 (0.75) RAB9ANPC1SMN1; SMN2FFAR1TP53
SCHEMBL12698839 0.83 NR1H4 (0.64) RAB9ANPC1FFAR1TP53MEN1
SCHEMBL17660217 0.82 NPC1 (0.72) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL23844170 0.82 NPC1 (0.76) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL2563194 0.80 NPC1 (0.68) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL12218356 0.79 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL12218052 0.79 NPC1 (0.72) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL18132528 0.79 ROCK2 (0.63) SMN1; SMN2FFAR1TP53MEN1KMT2A
SCHEMBL12218013 0.78 RAB9A (0.70) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL12218058 0.78 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
WO-2012112567-A1 SMALL MOLECULE INHIBITORS OF AGBL2 GEORGETOWN UNIVERSITY (US) 2012-08-23 — — WO disclosed
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