SCHEMBL4414411

SCHEMBL4414411

C=CCCCSc1nnnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.61
▸ LMNA P02545 6/20 0.61
▸ TSHR P16473 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NFKB2 Q00653 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ POLB P06746 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TP53 P04637 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ THRB P10828 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL10970208 0.87 ALDH1A1 (0.71) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL10973042 0.87 ALDH1A1 (0.71) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL11749337 0.86 ALDH1A1 (0.61) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL16116944 0.81 ALDH1A1 (0.72) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL7301329 0.81 ALDH1A1 (0.66) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL7303919 0.81 ALDH1A1 (0.66) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL10972734 0.81 ALDH1A1 (0.63) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL16526226 0.80 ALDH1A1 (0.70) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL24305911 0.79 ALDH1A1 (0.68) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL17761121 0.79 ALDH1A1 (0.68) ALDH1A1LMNATSHRHPGDSMN1; SMN2

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
WO-2009009597-A1 WATER SOLUBLE OLEFIN METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-15 — — WO disclosed
WO-2009009597-A1 WATER SOLUBLE OLEFIN METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-15 — — WO disclosed
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