SCHEMBL8977412

SCHEMBL8977412

OCCc1coc(Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
DAO P14920 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CALM1 P0DP23 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL358651 0.85 IDH1 (0.57) IDH1TDP1DAOCALM1BCL2
SCHEMBL27719076 0.83 IDH1 (0.58) IDH1TDP1DAOCALM1BCL2
SCHEMBL21153740 0.82 IDH1 (0.50) IDH1TDP1DAOCALM1BCL2
SCHEMBL11483794 0.78 IDH1 (0.57) IDH1DAOCALM1BCL2BCL2L1
SCHEMBL15978541 0.78 IDH1 (0.53) IDH1DAOCALM1BCL2BCL2L1
SCHEMBL11195540 0.78 IDH1 (0.53) IDH1TDP1DAOCALM1BCL2
SCHEMBL11173312 0.78 IDH1 (0.53) IDH1TDP1DAOCALM1BCL2
SCHEMBL11040268 0.76 IDH1 (0.64) IDH1DAOCALM1BCL2BCL2L1
SCHEMBL28226448 0.75 TSHR (0.54) IDH1DAOCALM1TSHR
SCHEMBL15977315 0.74 IDH1 (0.49) IDH1TDP1DAOCALM1

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
EP-0707639-A1 CHRYSANTHEMYL DIPHOSPHATE SYNTHASE, CORRESPONDING GENES AND USE IN PYRETHRIN SYNTHESIS AGRIDYNE TECHNOLOGIES, INC. (US) 1996-04-24 EP disclosed
WO-1995000634-A1 CHRYSANTHEMYL DIPHOSPHATE SYNTHASE, CORRESPONDING GENES AND USE IN PYRETHRIN SYNTHESIS AGRIDYNE TECHNOLOGIES, INC. (US) 1995-01-05 WO disclosed