SCHEMBL5186555

SCHEMBL5186555

CC(CCc1ccccc1)CC(O)OC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8896829 0.84 PPARG (0.48) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL5186550 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL16702632 0.76 OPRK1 (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL30637704 0.76 OPRK1 (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL16702478 0.76 OPRK1 (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL29216850 0.76 OPRK1 (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL27620542 0.74 TSHR (0.56) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL5186560 0.73 TSHR (0.50) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL7645489 0.73 NAAA (0.54) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL25874171 0.72 TSHR (0.53) SMN1; SMN2KMT2AMEN1HTTHPGD

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
EP-1760067-A2 Compounds with protected hydroxy groups Givaudan SA (CH) 2007-03-07 EP disclosed
US-6627763-B2 As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents GIVAUDAN SA 2003-09-30 US disclosed
US-20020193269-A1 Compounds having protected hydroxy groups GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-12-19 US disclosed
US-6437150-B1 WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS GIVAUDAN SA (CH) 2002-08-20 US disclosed
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed