SCHEMBL7437345

SCHEMBL7437345

Cc1ccc2c(c1)OCC(C(=O)C1COc3cc(C)ccc3O1)O2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL7436303 0.93 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16601605 0.89 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1519184 0.89 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2054548 0.89 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1107089 0.89 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL24121618 0.84 RAB9A (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1519333 0.83 CYP4F2 (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1519098 0.82 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13808597 0.82 RAB9A (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7443165 0.80 NPC1 (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1

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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed