SCHEMBL7436013

SCHEMBL7436013

C[S+]([O-])c1ccc2c(c1)OCC(C(O)CN)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KMT2A Q03164 2/20 0.31
TAAR1 Q96RJ0 3/20 0.31
SLC6A2 P23975 1/20 0.31
HPGD P15428 2/20 0.31
CHRNB4 P30926 4/20 0.30
CHRNA3 P32297 4/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7434182 0.84 TAS1R3 (0.31) LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7445352 0.80 CA2 (0.40) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL10992132 0.80 BACE1 (0.32) MAPTSMN1; SMN2KMT2AALDH1A1CYP3A4
SCHEMBL7437298 0.78 MLNR (0.32) LMNAMAPTSMN1; SMN2NPSR1ADRB2
SCHEMBL7436205 0.78 CA2 (0.46) LMNAMAPTSMN1; SMN2NPSR1ADRB2
SCHEMBL7438907 0.78 CA2 (0.46) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL7440218 0.78 FFAR1 (0.40) LMNAMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL7436820 0.77 LMNA (0.45) LMNAMAPTSMN1; SMN2ADRB2ADRB1
SCHEMBL7432523 0.77 KMT2A (0.35) LMNAMAPTSMN1; SMN2NPSR1ADRB2
SCHEMBL7439944 0.76 KDM4E (0.35) LMNAMAPTSMN1; SMN2NPSR1KMT2A

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed