SCHEMBL4206102

SCHEMBL4206102

COC(=O)CC(C)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MMP12 P39900 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14338691 1.00 TSHR (0.53) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL14593512 0.90 KMT2A (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL11576249 0.85 CYP4F2 (0.60) TSHRSMN1; SMN2ALDH1A1HDAC8NPC1
SCHEMBL5934204 0.85 CA12 (0.52) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL13079708 0.85 OPRK1 (0.44) TSHRMEN1HTTKMT2ACA12
SCHEMBL6526152 0.84 SMN1; SMN2 (0.56) TSHRSMN1; SMN2ALDH1A1
SCHEMBL13610016 0.84 KMT2A (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL27498005 0.84 KMT2A (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL4656173 0.83 MMP12 (0.55) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL10509525 0.83 NPC1 (0.51) TSHRMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
EP-1781239-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR Patus Ltd (IL) 2007-05-09 EP disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
US-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 WO disclosed
WO-2005046632-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD. (IL) 2005-05-26 WO disclosed
US-4076838-A ANTIARTHRITIC, ANALGESICS, ANTIPHLOGISTICS SANDOZ LTD. (CH) 1978-02-28 US disclosed