SCHEMBL14822984

SCHEMBL14822984

CC[C@@H](CC(=O)O)NC(=O)c1ccc(C#Cc2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ MMP15 P51511 1/20 0.44
▸ MMP16 P51512 1/20 0.44
▸ MMP26 Q9NRE1 1/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ EGLN2 Q96KS0 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ACACB O00763 2/20 0.42
▸ FFAR1 O14842 3/20 0.42
▸ CHRNA4 P43681 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL13409928 0.87 ALDH1A1 (0.51) LMNAL3MBTL1KDM4EALDH1A1MMP2
SCHEMBL14822942 0.81 POLB (0.56) LMNAL3MBTL1KDM4EALDH1A1MMP2
SCHEMBL14822906 0.80 MMP2 (0.60) MMP2MMP9MMP12MMP14MMP15
SCHEMBL3683757 0.79 ALDH1A1 (0.49) LMNAL3MBTL1KDM4EALDH1A1ACACB
SCHEMBL3683754 0.79 ALDH1A1 (0.49) LMNAL3MBTL1KDM4EALDH1A1ACACB
SCHEMBL13444482 0.76 TAS1R3 (0.37) ALDH1A1MMP2MMP9TAS1R3TAS1R1
SCHEMBL14823020 0.76 TAS1R3 (0.68) LMNAL3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL13410038 0.74 CPT2 (0.50) ACACBFFAR1SUCNR1
SCHEMBL15623140 0.72 KDM4E (0.52) LMNAL3MBTL1KDM4EALDH1A1PTGES
SCHEMBL14822999 0.72 SMN1; SMN2 (0.59) LMNAALDH1A1POLBTP53NPSR1

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
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
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