SCHEMBL28455282

SCHEMBL28455282

CCCCCCCC(CCC)CC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
NAAA Q02083 1/20 0.46
DRD3 P35462 1/20 0.46
TSHR P16473 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44

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
SCHEMBL8383210 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL1133494 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL9997625 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL962498 0.98 PRSS1 (0.48) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL14866985 0.97 PRSS1 (0.52) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL15155157 0.97 PRSS1 (0.52) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL14866986 0.97 PRSS1 (0.52) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL965455 0.94 KMT2A (0.49) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL966669 0.90 TSHR (0.55) CES2CES1KMT2AMEN1NPC1
SCHEMBL14159304 0.89 PRSS1 (0.55) PRSS1PRSS2PRSS3CES2CES1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed
CN-115449262-A Marking composition 桑福德有限合伙人公司 2022-12-09 CN disclosed
CN-111263795-B Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2022-05-03 CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 CN disclosed
CN-111263795-A Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2020-06-09 CN disclosed