SCHEMBL4558613

SCHEMBL4558613

Cc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1ccc(C(=O)O)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.57
HDAC1 Q13547 1/20 0.43
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL244755 0.92 SCD (0.56) SCDHDAC1RAB9APOLBTP53
SCHEMBL243177 0.90 SCD (0.52) SCDHDAC1RAB9APOLBTP53
SCHEMBL244279 0.85 SCD (0.57) SCDHDAC1RAB9APOLBTP53
SCHEMBL244962 0.84 TSHR (0.60) SCDHDAC1TSHRKDM4ELMNA
SCHEMBL243738 0.84 SCD (0.56) SCDHDAC1RAB9APOLBTP53
SCHEMBL245118 0.83 SCD (0.57) SCDHDAC1RAB9APOLBTP53
SCHEMBL241902 0.83 SCD (0.57) SCDHDAC1RAB9APOLBTP53
SCHEMBL243779 0.83 SCD (0.60) SCDHDAC1RAB9APOLBTP53
SCHEMBL244191 0.82 SCD (0.56) SCDRAB9APOLBTP53TSHR
SCHEMBL244626 0.82 SCD (0.59) SCDHDAC1RAB9APOLBTP53

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
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP claimed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO claimed