SCHEMBL9500748

SCHEMBL9500748

CC(C)CC(NC(=S)Nc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
GAA P10253 2/20 0.65
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CAPN1 P07384 1/20 0.58
FPR2 P25090 3/20 0.56
MAPK1 P28482 1/20 0.54
MME P08473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL9500733 1.00 CA1 (0.70) CA1CA2GAAKMT2ALMNA
SCHEMBL13764936 0.85 CAPN1 (0.58) CA1CA2GAAKMT2ALMNA
SCHEMBL5098654 0.84 FPR2 (0.76) KMT2ALMNAFPR2MAPK1ALDH1A1
SCHEMBL5098656 0.84 FPR2 (0.76) KMT2ALMNAFPR2MAPK1ALDH1A1
SCHEMBL12002481 0.83 GAA (0.70) CA1CA2GAAKMT2ALMNA
SCHEMBL12002482 0.83 GAA (0.70) CA1CA2GAAKMT2ALMNA
SCHEMBL12521474 0.83 CTSL (0.65) CA1CA2CAPN1
SCHEMBL9618589 0.81 GAA (0.73) CA1CA2GAAKMT2ALMNA
SCHEMBL9618591 0.81 GAA (0.73) CA1CA2GAAKMT2ALMNA
SCHEMBL12002557 0.80 CA1 (0.74) CA1CA2GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112326817-A Method for identifying fennel honey 秦皇岛海关技术中心 2021-02-05 CN claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
CN-112326817-B Method for identifying fennel honey 秦皇岛海关技术中心 2022-04-22 CN disclosed
CN-112326817-A Method for identifying fennel honey 秦皇岛海关技术中心 2021-02-05 CN disclosed
EP-0353361-B1 A METHOD FOR DETECTING AMINO ACID DERIVATIVES SEIKO INSTRUMENTS INC. (JP) 1993-04-28 EP disclosed
EP-0202894-B1 A METHOD FOR DETECTING AMINO ACID DERIVATIVES SEIKO INSTRUMENTS INC. (JP) 1992-02-19 EP disclosed
US-5051369-A Formation of fluorescein or rhodamine derivatives of amino compounds to form phenylthiocarbamyl aminoacids and detection by fluorescence SEIKO INSTRUMENTS INC. (JP) 1991-09-24 US disclosed
EP-0353361-A1 A method for detecting amino acid derivatives SEIKO INSTRUMENTS INC. (JP) 1990-02-07 EP disclosed
US-4865994-A REACTING 2-ANILINO-S-THIAZOLINONE MODIFIED AMINO ACID WITH AMINO COMPOUND LABELED WITH RADIOACTIVE ISOTOPE SEIKO INSTRUMENTS & ELECTRONICS LTD. (JP) 1989-09-12 US disclosed
EP-0202894-A2 A method for detecting amino acid derivatives SEIKO INSTRUMENTS INC. (JP) 1986-11-26 EP disclosed