SCHEMBL7440385

SCHEMBL7440385

CCCCc1ccc(C(C(N)=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7430526 0.89 SPHK1 (0.30)
SCHEMBL7439752 0.89 MAPT (0.39) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7443120 0.88 LMNA (0.41) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7445139 0.88 MAPT (0.35) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7439458 0.88 MAPT (0.40) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7440244 0.87 ADRB2 (0.38) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7438125 0.87 MAPT (0.35) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7434347 0.87 MAPT (0.37) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7435907 0.87 KDM4E (0.40) LTA4HMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7428130 0.87 MAPT (0.37) LTA4HMAPTLMNASMN1; SMN2NPSR1

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