SCHEMBL9503988

SCHEMBL9503988

C[C@H](C(=O)N(C)O)c1ccc2cc(OCc3nc4ccccc4n3C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
PDE10A Q9Y233 1/20 0.49
ALOX5 P09917 1/20 0.47
PPARG P37231 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL9427781 0.89 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53PDE10A
SCHEMBL9584450 0.89 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL9584634 0.81 ALOX5 (0.64) ALOX5
SCHEMBL9507030 0.81 ALOX5 (0.64) ALOX5
Water SCHEMBL9588688 0.80 ALOX5 (0.63) ALOX5
SCHEMBL9505365 0.78 NPC1 (0.51) RAB9ANPC1SMN1; SMN2ALOX5MAPT
SCHEMBL13696704 0.78 NPC1 (0.51) RAB9ANPC1SMN1; SMN2ALOX5MAPT
SCHEMBL9503959 0.77 NPC1 (0.50) RAB9ANPC1SMN1; SMN2ALOX5MAPT
Water SCHEMBL9427943 0.76 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53PDE10A
SCHEMBL9427541 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53PDE10A

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
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed