SCHEMBL7438480

SCHEMBL7438480

Cc1ccc(C(=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
LTA4H P09960 2/20 0.44
KMT2A Q03164 3/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
PRMT5 O14744 3/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7435319 0.92 EPHX1 (0.47) LMNALTA4HKMT2AEPHX2MAPT
SCHEMBL7436670 0.90 NPC1 (0.44) LTA4HKMT2AEPHX2MAPTSMN1; SMN2
SCHEMBL7438375 0.90 DRD3 (0.49) LMNALTA4HKMT2AEPHX2SMN1; SMN2
SCHEMBL7440526 0.90 GAA (0.46) LMNAKMT2AEPHX2L3MBTL1SMN1; SMN2
SCHEMBL7435567 0.88 TEAD1 (0.46) LTA4HKMT2AEPHX2MEN1PRMT5
SCHEMBL7432904 0.87 LTA4H (0.44) LMNALTA4HKMT2AMAPTSMN1; SMN2
SCHEMBL7428109 0.87 LMNA (0.52) LMNAKMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL7438639 0.87 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL7431389 0.87 HPGD (0.51) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7439371 0.86 LMNA (0.42) LMNALTA4HKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed