SCHEMBL9951847

SCHEMBL9951847

Cc1cc(Cl)c(OCCOc2ccc(C(=O)O)c(C)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
MCL1 Q07820 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PLAU P00749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL695344 0.85 PKM (0.57) KDM4EALDH1A1PLAUMAPK1L3MBTL1
SCHEMBL6838654 0.80 MCL1 (0.46) KDM4EALDH1A1MCL1TDP1
SCHEMBL3079622 0.80 THRA (0.48) MCL1
SCHEMBL19338375 0.80 PKM (0.62) ALDH1A1MAPK1L3MBTL1
SCHEMBL16510360 0.80 KDM4E (0.49) KDM4ETDP1MAPTHPGD
SCHEMBL2341095 0.78 KMT2A (0.55) L3MBTL1
SCHEMBL1023516 0.78 THRA (0.59) KDM4EALDH1A1MCL1SMN1; SMN2
SCHEMBL5191841 0.77 PDE3B (0.44) KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL16909329 0.77 THRA (0.48) ALDH1A1MCL1L3MBTL1
SCHEMBL694983 0.77 MAPT (0.67) KDM4EALDH1A1TDP1POLBSMN1; 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-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed