SCHEMBL7875386

SCHEMBL7875386

COc1ccc(COC(=O)N2CCC2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.52
PREP P48147 1/20 0.50
GRIN2B Q13224 1/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
MMP9 P14780 2/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
P2RX4 Q99571 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL9662132 0.92 NPSR1 (0.62) NPSR1ALDH1A1TP53PREPKDM4E
SCHEMBL6230666 0.88 ALDH1A1 (0.52) NPSR1ALDH1A1TP53PREPGRIN2B
SCHEMBL20467621 0.86 GFER (0.50) NPSR1PREPGRIN2BP2RX4SMN1; SMN2
SCHEMBL10759953 0.86 ALDH1A1 (0.48) NPSR1ALDH1A1TP53PREPGRIN2B
SCHEMBL10759948 0.86 ALDH1A1 (0.48) NPSR1ALDH1A1TP53PREPGRIN2B
SCHEMBL3134513 0.85 SMN1; SMN2 (0.61) NPSR1ALDH1A1PREPSMN1; SMN2NPC1
SCHEMBL4668774 0.85 SMN1; SMN2 (0.61) NPSR1ALDH1A1PREPSMN1; SMN2NPC1
SCHEMBL5702006 0.85 SMN1; SMN2 (0.61) NPSR1ALDH1A1PREPSMN1; SMN2NPC1
SCHEMBL20467623 0.84 SMN1; SMN2 (0.47) NPSR1ALDH1A1PREPSMN1; SMN2NPC1
SCHEMBL21671228 0.84 SMN1; SMN2 (0.47) NPSR1ALDH1A1PREPSMN1; SMN2NPC1

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
US-6313315-B1 RESOLUTION; ENANTIOMORPHIC PURIFICATION; CRYSTALLIZATION IN SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-1057810-A1 Method for producing n-protected-azetidine-2-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 EP disclosed