SCHEMBL8304936

SCHEMBL8304936

COC1CCSc2ccc(C(=O)O)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
MYC P01106 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
SCHEMBL7813391 0.78 TSHR (0.34) TSHRTLR2TLR1TLR6MYC
SCHEMBL8307149 0.77
SCHEMBL8308293 0.71 RYR2 (0.33) TSHR
SCHEMBL7620903 0.69 MCL1 (0.36) MEN1KMT2ATSHRMCL1MYC
SCHEMBL8618006 0.68 MAPT (0.39) MEN1KMT2ATSHRMCL1
SCHEMBL8618009 0.68 MAPT (0.39) MEN1KMT2ATSHRMCL1
SCHEMBL7809696 0.67 CNR2 (0.32) TSHR
SCHEMBL7811072 0.67 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL27527652 0.66 MCL1 (0.34) MEN1KMT2ATSHRMCL1
SCHEMBL8139463 0.65 HSD17B10 (0.38) MEN1KMT2ATSHRMCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629623-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 1999-05-19 EP disclosed
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed
US-5468722-A Herbicides for corn, wheat, barley IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed
EP-0629623-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-12-21 EP disclosed