SCHEMBL29637409

SCHEMBL29637409

CC(C)(C)C(Cl)OC(=O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
SLC22A6 Q4U2R8 2/20 0.41
LMNA P02545 5/20 0.36
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
VCAM1 P19320 1/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
GPR84 Q9NQS5 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL29637404 0.89 EGLN1 (0.41) TSHRLMNACYP1A2VCAM1MAPK1
SCHEMBL6442341 0.79 TSHR (0.50) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL29226761 0.76 TSHR (0.50) TSHRSLC22A6LMNAAKR1B1ALDH1A1
SCHEMBL10553643 0.75 TSHR (0.54) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL18620 0.74 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL15270814 0.74 LMNA (0.50) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL10009910 0.74 TSHR (0.44) TSHRSLC22A6LMNANFKB1AKR1B1
SCHEMBL15271163 0.72 TSHR (0.52) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL11752180 0.72 TSHR (0.52) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL15270662 0.72 TSHR (0.52) TSHRSLC22A6LMNANFKB1PMP22

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-114423740-A Pyrazole derivatives for controlling arthropods 拜耳动物保健有限责任公司 2022-04-29 CN disclosed