SCHEMBL29240282

SCHEMBL29240282

CCCCCCCCC(CCCCC)COC(=O)OCC(CCCCC)CCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.48
GPR84 Q9NQS5 7/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 2/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FAAH O00519 1/20 0.42

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
SCHEMBL27008512 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL2990536 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL26633470 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL8508059 0.98 TSHR (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL21259198 0.94 PRSS1 (0.49) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL12646272 0.94 PRSS1 (0.49) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL3781285 0.94 TSHR (0.49) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL19359823 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL18856342 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL20260283 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3TSHRCYP3A4

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-118265793-A Method for producing double unsaturated pheromone by metabolic pathway ISCA科技公司 2024-06-28 CN disclosed