SCHEMBL9746230

SCHEMBL9746230

C=CCOC(=O)C(O)(CC=C)CCCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.33
SMPD1 P17405 1/20 0.33
FDPS P14324 8/20 0.33
GGPS1 O95749 5/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL2046546 0.90 TSHR (0.56) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL28232283 0.89 TSHR (0.50) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL15622016 0.81 TSHR (0.51) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL28554033 0.80 TSHR (0.54) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL486435 0.78 GAA (0.40) TSHRKMT2AL3MBTL1GAAFDPS
SCHEMBL5461645 0.78 TSHR (0.53) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL18248469 0.78 TSHR (0.49) TSHRMAPTFAAH
SCHEMBL24961365 0.78 TSHR (0.56) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL29091394 0.78 TSHR (0.51) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL24961319 0.78 TSHR (0.56) TSHRHPGDMEN1MAPTKMT2A

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
CN-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN claimed
US-5089162-A Liquid or grains, lemon scent, yellow color; automatic dishwasher detergent LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-02-18 US disclosed