SCHEMBL3758772

SCHEMBL3758772

CCC(=O)OC1=CC(CC)CCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
HIF1A Q16665 2/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL3762710 1.00 ESR1 (0.37) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL28632863 0.78 ALOX15 (0.37) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3870184 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3673620 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3673615 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3870186 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3673618 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL3673617 0.76 KMT2A (0.36) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL7593729 0.75
SCHEMBL7510499 0.72 MMP2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846701-B2 Method for preparing optically active compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-07 US disclosed
US-20070292925-A1 Method for Preparing Optically Active Compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-20 US disclosed
EP-1813679-A1 METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND Takasago International Corporation (JP) 2007-08-01 EP disclosed