SCHEMBL28677992

SCHEMBL28677992

CCCCCCCCCCCCC(CC)COC(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TRPV1 Q8NER1 3/20 0.50
YWHAG P61981 1/20 0.49
LMNA P02545 1/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CA2 P00918 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
IAPP P10997 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
SCHEMBL22471802 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TRPV1YWHAG
SCHEMBL31296583 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TRPV1YWHAG
SCHEMBL28672833 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TRPV1YWHAG
SCHEMBL31296584 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3TRPV1YWHAG
SCHEMBL28675853 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3LMNACYP3A4
SCHEMBL22471821 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3LMNACYP3A4
SCHEMBL22471843 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3LMNACYP3A4
SCHEMBL31296573 0.86 TRPV1 (0.51) TRPV1YWHAGLMNATSHRTDP1
SCHEMBL31296579 0.86 TRPV1 (0.51) TRPV1YWHAGLMNATSHRTDP1
SCHEMBL22471849 0.86 TRPV1 (0.51) TRPV1YWHAGLMNATSHRTDP1

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-113767159-A Reversible thermochromic microcapsule pigments 百乐墨水株式会社 2021-12-07 CN disclosed