SCHEMBL28632863

SCHEMBL28632863

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
HIF1A Q16665 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PTPN1 P18031 1/20 0.32
FGFR1 P11362 1/20 0.31
CYP2D6 P10635 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 2/20 0.30
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 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
SCHEMBL3758772 0.78 ESR1 (0.37) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL3762710 0.78 ESR1 (0.37) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL3673615 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL3870184 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL3673617 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL3673620 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL3673618 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL3870186 0.77 KMT2A (0.36) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL1695435 0.70 ESR1 (0.41) ALOX15ESR1HIF1AKMT2ARECQL
SCHEMBL7622870 0.69 ESR1 (0.40) ALOX15ESR1HIF1AKMT2ARECQL

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
CN-108025194-B Fragrant component of Qingxiang and Suzuan blue 弗门尼舍有限公司 2021-10-22 CN disclosed