SCHEMBL9307769

SCHEMBL9307769

CCC(=O)N(CC)CC.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
TSPO P30536 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR3 O14843 1/20 0.37
TSHR P16473 1/20 0.36
FDPS P14324 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6244448 0.97
SCHEMBL139066 0.97
Propionamide SCHEMBL17925397 0.86 LMNA (0.50) LMNAMMP1MMP2MMP3MMP8
SCHEMBL5955325 0.82
SCHEMBL10489425 0.80 CA12 (0.48) LMNAMMP1MMP2MMP3MMP8
SCHEMBL3029060 0.80
SCHEMBL134968 0.78 ALDH1A1 (0.46) LMNAMMP1MMP2MMP3MMP8
SCHEMBL10289978 0.78 LMNA (0.42) LMNAMMP1MMP2MMP3MMP8
SCHEMBL19903149 0.78 ALDH1A1 (0.43) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2327551 0.78 LMNA (0.78) LMNAMMP1MMP2MMP3MMP8

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-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US claimed
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US disclosed