SCHEMBL31278367

SCHEMBL31278367

CC1(C)C=[N+](CCCCCC(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.43
ALDH1A1 P00352 2/20 0.34
TBXA2R P21731 1/20 0.34
FABP4 P15090 4/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 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
SCHEMBL10077596 0.82 FOLH1 (0.51) FOLH1ALDH1A1TBXA2RFABP4PKM
SCHEMBL2912341 0.77 CYP26B1 (0.37) ALDH1A1TBXA2RFABP4PKMMAPK1
SCHEMBL716120 0.75 FOLH1 (0.47) FOLH1ALDH1A1TBXA2RFABP4PKM
SCHEMBL20150964 0.75 FOLH1 (0.47) FOLH1ALDH1A1TBXA2RFABP4PKM
Bromide SCHEMBL7750134 0.75 FOLH1 (0.46) FOLH1ALDH1A1TBXA2RFABP4PKM
Bromide SCHEMBL7750130 0.75 FOLH1 (0.46) FOLH1ALDH1A1TBXA2RFABP4PKM
SCHEMBL10090494 0.74 FOLH1 (0.43) FOLH1
SCHEMBL1714566 0.73 FOLH1 (0.36) FOLH1ALDH1A1TBXA2RFABP4PKM
SCHEMBL14883323 0.72 FOLH1 (0.42) FOLH1ALDH1A1TBXA2RFABP4
SCHEMBL14695543 0.71 FOLH1 (0.58) FOLH1ALDH1A1TBXA2RFABP4

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-111148850-B High strength labeled reactant compositions and methods for sequencing 宽腾矽公司 2024-11-08 CN disclosed