SCHEMBL14047637

SCHEMBL14047637

CC1C=C(N2CCN(Cc3ccc(C(N)=O)cc3)C2=O)SC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.43
▸ HDAC1 Q13547 7/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35

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
SCHEMBL14047418 0.79 PTGDR2 (0.42) SCDHDAC1LMNA
SCHEMBL14047587 0.70 TSHR (0.59) SCDHDAC1GAARAB9A
SCHEMBL245721 0.70 SCD (0.53) SCDHDAC1CYP2C9CYP2C19PRMT5
SCHEMBL1568774 0.63 SCD (0.57) SCDHDAC1LMNARAB9APOLB
SCHEMBL4267387 0.62 GAA (0.64) HDAC1GAAKMT2AOPRM1F2
SCHEMBL20702426 0.62 L3MBTL1 (0.58) HDAC1CYP2C9CYP2C19PRMT5WDR77
SCHEMBL244590 0.62 SCD (0.50) SCDHDAC1LMNARAB9A
SCHEMBL348446 0.62 SCD (0.80) SCDHDAC1CYP2C9CYP2C19POLB
SCHEMBL30842587 0.62 HDAC1 (0.67) HDAC1CYP2C19RAB9A
SCHEMBL31011701 0.59 RAB9A (0.54) HDAC1CYP2C9CYP2C19LMNARAB9A

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-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
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