SCHEMBL9329960

SCHEMBL9329960

CCCN(CCC)CCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
DNM1 Q05193 3/20 0.36
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1548270 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3932580 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1784204 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL465301 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18555812 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL474236 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL465288 1.00 LMNA (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL975581 0.97 SMN1; SMN2 (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL465374 0.97 SMN1; SMN2 (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19595025 0.92 SMN1; SMN2 (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A

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
EP-0400435-B1 Carbonic half-ester of betaine structure BASF AG (DE) 1994-04-13 EP disclosed
EP-0400435-A2 Carbonic half-ester of betaine structure BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed