SCHEMBL8918925

SCHEMBL8918925

COc1cccc2c1C(=N)NC21CCCOO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30

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
SCHEMBL9090620 0.92 TXNRD1 (0.36) TXNRD1TXNRD3TXNRD2SIGMAR1KMT2A
SCHEMBL8919056 0.87 PDK2 (0.34) KMT2APDK2
SCHEMBL8917814 0.86 PDE7A (0.33)
SCHEMBL8920860 0.84 SLC6A2 (0.32)
SCHEMBL8920277 0.82 PRKCA (0.38) KMT2A
SCHEMBL8921238 0.82 PRKCA (0.38) KMT2A
SCHEMBL8922881 0.81 ORAI1 (0.30)
SCHEMBL8919413 0.80
SCHEMBL8920405 0.77
SCHEMBL8919595 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed