SCHEMBL30096037

SCHEMBL30096037

CCC(CC)Cc1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TAAR1 Q96RJ0 10/20 0.43
HTR1A P08908 1/20 0.43
ALOX15 P16050 1/20 0.42
TERT O14746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.37
TBXAS1 P24557 2/20 0.36

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
SCHEMBL7854820 0.89 TXN (0.40) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL759997 0.86 TXN (0.38) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL28406709 0.83 TXN (0.36) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL4129705 0.82 TXN (0.47) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL11188268 0.80 TXN (0.42) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL28494354 0.80 TXN (0.42) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL6675527 0.80 TXN (0.42) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL11014678 0.80 TAAR1 (0.38) TXNTXNRD1TAAR1HTR1AALOX15
SCHEMBL233107 0.78
SCHEMBL9443992 0.78 TAAR1 (0.37) TXNTXNRD1TAAR1HTR1AALOX15

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-115397814-A Amidate compound, method for producing same, blocking agent dissociation catalyst, and thermosetting resin composition 广荣化学株式会社 2022-11-25 CN disclosed