SCHEMBL5696701

SCHEMBL5696701

COc1ccccc1C1(C)C=CC(C(=O)O)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SRD5A1 P18405 1/20 0.36

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
SCHEMBL9681362 0.85 KMT2A (0.42) HTTKMT2ACA12CA1CA2
SCHEMBL9683566 0.80 NPSR1 (0.33) KMT2ACA12CA1CA2CA7
SCHEMBL9683216 0.71 TSHR (0.35) HTTKMT2ACA12CA1CA2
SCHEMBL20594620 0.71 CYSLTR2 (0.45)
SCHEMBL7427848 0.70 SMN1; SMN2 (0.39) HTTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10480053 0.69 PTGS2 (0.42) HTTKMT2ASMN1; SMN2CHRM2CHRM1
SCHEMBL8069408 0.69 HDAC4 (0.38) HTTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9330548 0.67 KDM4E (0.40) HTTKMT2APOLBSMN1; SMN2CHRM2
SCHEMBL9683488 0.67 GRIN2B (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL20594607 0.67 CYP2D6 (0.40) HTTL3MBTL1

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed