SCHEMBL13675126

SCHEMBL13675126

C=C1OB(c2ccc(C#N)cc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR2 Q92731 1/20 0.33
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
POLB P06746 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL13474635 0.86 LPL (0.38) LPLLIPGCA12CA2CA3
SCHEMBL13100187 0.80
SCHEMBL2756805 0.80 LPL (0.50) ESR2LPLLIPGCA12CA2
SCHEMBL13186080 0.80 LPL (0.34) LPLLIPG
SCHEMBL13509394 0.80 LPL (0.34) LPLLIPG
SCHEMBL14231975 0.78 LPL (0.51) LPLLIPG
SCHEMBL13217765 0.78 LPL (0.33) LPLLIPG
SCHEMBL12512630 0.78 LPL (0.33) LPLLIPG
SCHEMBL10085659 0.78 LPL (0.33) LPLLIPGCA12CA2CA3
SCHEMBL12189218 0.78 CYP19A1 (0.55)

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-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed