SCHEMBL14764011

SCHEMBL14764011

CCC(=O)OCC(C)C1CC=C(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN1 P18031 2/20 0.32
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL309490 0.86 LMNA (0.39) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL18503906 0.85 NPC1 (0.36) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL18503897 0.82 LMNA (0.36) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL18513491 0.81 TSHR (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL17213211 0.81 TSHR (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL17204124 0.81 TSHR (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL18513494 0.81 TSHR (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL18492269 0.81 TSHR (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL2443192 0.78 LMNA (0.39) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL14330244 0.77 LMNA (0.36) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2

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
WO-2013034416-A1 ANTIMICROBIAL METHOD AND COMPOSITION UNILEVER N.V. (NL) 2013-03-14 WO disclosed
WO-2013034581-A1 ANTIMICROBIAL COMPOSITION COMPRISING THYMOL AND A TERPINYL DERIVATIVE UNILEVER N.V. (NL) 2013-03-14 WO disclosed