SCHEMBL8539792

SCHEMBL8539792

C[C@@H](C=O)N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MLYCD O95822 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
AKT1 P31749 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL2791434 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNATSHRTDP1
SCHEMBL3989548 0.85 KMT2A (0.40) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL2791431 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNATSHRTDP1
SCHEMBL4324062 0.84 TRPM8 (0.40) SMN1; SMN2ALDH1A1LMNATP53TRPM8
SCHEMBL4324066 0.84 TRPM8 (0.40) SMN1; SMN2ALDH1A1LMNATP53TRPM8
SCHEMBL7630006 0.84 ALOX5 (0.47) LMNAL3MBTL1
SCHEMBL1643846 0.84 SLC6A2 (0.39) SMN1; SMN2ALDH1A1CYP2C19NPSR1CHRNB2
SCHEMBL2174292 0.84 AAK1 (0.36) SMN1; SMN2ALDH1A1LMNATDP1MEN1
SCHEMBL7447861 0.84 MEN1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4381548 0.83 GPR119 (0.35) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670305-B1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORP (JP) 1998-05-20 EP claimed
EP-0670305-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORPORATION (JP) 1995-09-06 EP claimed
US-4803292-A Process for producing statin and related compounds SUNTORY LIMITED (JP) 1989-02-07 US disclosed