SCHEMBL16348394

SCHEMBL16348394

CCCCn1nccc1-c1cc(Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PIM1 P11309 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
CASP3 P42574 2/20 0.41
HTT P42858 2/20 0.41
CDK9 P50750 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
DGAT1 O75907 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
SCHEMBL13523182 0.86 IDO1 (0.49) IDO1MAPTALDH1A1PIM1EPHX2
SCHEMBL364560 0.78 MAPT (0.65) IDO1MAPTALDH1A1PIM1EPHX2
SCHEMBL16348323 0.77 EPHX2 (0.46) IDO1MAPTALDH1A1PIM1EPHX2
SCHEMBL13212232 0.70 SLC9A1 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16348338 0.70 IDO1 (0.42) IDO1MAPTALDH1A1PIM1EPHX2
SCHEMBL28839402 0.69 SLC9A1 (0.40) ALDH1A1KMT2AMAPK1DGAT1ESR1
SCHEMBL16348324 0.69 GFER (0.46) IDO1MAPTKDM4ENPC1LMNA
SCHEMBL6652319 0.69 P2RX7 (0.38) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL6650791 0.68 P2RX7 (0.40) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL13522938 0.68 HSP90AA1 (0.51) IDO1MAPTALDH1A1PIM1EPHX2

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