SCHEMBL16348338

SCHEMBL16348338

CCCCn1ccc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 2/20 0.41
CDK9 P50750 2/20 0.41
RAB9A P51151 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PIM1 P11309 1/20 0.39
TP53 P04637 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL13523181 0.86 IDO1 (0.44) IDO1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL366947 0.79 IDO1 (0.50) IDO1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL11679229 0.77 CYP19A1 (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL16348304 0.77 CACNA1G (0.45) IDO1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL16348322 0.77 IDO1 (0.41) IDO1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL16348357 0.74 PPARG (0.47) KDM4ELMNAHPGDALDH1A1MEN1
SCHEMBL16348426 0.72 PSEN1 (0.38) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL16348339 0.71 PPARG (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16348394 0.70 IDO1 (0.48) IDO1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL23402376 0.69 ALDH1A1 (0.37) KDM4ESMN1; SMN2LMNAALDH1A1NPC1

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-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed