SCHEMBL14587140

SCHEMBL14587140

C=CC[C@@H](O)/C(C)=C/c1csc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8024334 1.00 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL8024330 1.00 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL12230330 1.00 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL8281749 0.88
SCHEMBL8281845 0.88
SCHEMBL14226409 0.86
SCHEMBL12996332 0.85 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL14587141 0.85 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL13039016 0.85 GRM5 (0.32) GRM5KDM4EMAPTHSD17B10
SCHEMBL3447888 0.84 HDAC1 (0.32) GRM5

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-7176235-B2 Epothilone derivatives and methods for making and using the same KOSAN BIOSCIENCES, INC. (US) 2007-02-13 US disclosed
US-7176235-B2 Epothilone derivatives and methods for making and using the same KOSAN BIOSCIENCES, INC. (US) 2007-02-13 US disclosed