SCHEMBL9050231

SCHEMBL9050231

CCCCC(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.58
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SRD5A2 P31213 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 1/20 0.46
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11317645 0.93 LTA4H (0.48) LTA4HALDH1A1KDM4EGAAKMT2A
SCHEMBL14402503 0.85 PTGS1 (0.53) LTA4HALDH1A1KDM4ELMNAKMT2A
SCHEMBL12896704 0.84 LMNA (0.67) LTA4HSRD5A2LMNA
Fenipentol SCHEMBL11573151 0.83 LMNA (0.64) ALDH1A1KDM4ELMNARIPK1SMN1; SMN2
Fenipentol SCHEMBL11351770 0.83 LMNA (0.64) ALDH1A1KDM4ELMNARIPK1SMN1; SMN2
Fenipentol SCHEMBL21837 0.83 LMNA (0.64) ALDH1A1KDM4ELMNARIPK1SMN1; SMN2
SCHEMBL11496449 0.83 SIGMAR1 (0.51) LTA4HALDH1A1KDM4ELMNAKMT2A
SCHEMBL28534779 0.83 LTA4H (0.47) LTA4HALDH1A1SRD5A2LMNAGAA
SCHEMBL11534496 0.83 SRD5A2 (0.46) LTA4HALDH1A1SRD5A2MAPTLMNA
SCHEMBL11433536 0.82 HTR2A (0.53) LTA4HALDH1A1KDM4ESRD5A2SMN1; 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
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed