SCHEMBL29027621

SCHEMBL29027621

CCCCC(C)CCNCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CASP2 P42575 2/20 0.46
F13A1 P00488 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
THPO P40225 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 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
SCHEMBL9807783 0.92 RELA (0.45) CA12CA2CA4CA6CA5A
SCHEMBL1552856 0.92 TSHR (0.41) CA12CA2CA4CA6CA5A
SCHEMBL10596435 0.92 CA12 (0.43) CA12CA2CA4CA6CA5A
SCHEMBL18629873 0.90 ALDH1A1 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL4317793 0.87 TSHR (0.46) CA2MEN1CYP2C19KMT2ATSHR
SCHEMBL28166103 0.86 TSHR (0.48) CA12CA2CA4CA6CA5A
SCHEMBL3699607 0.85 CA12 (0.43) CA12CA2CA4CA6CA5A
SCHEMBL19774502 0.83 TSHR (0.44) CA2CYP1A2MEN1CYP2C19KMT2A
SCHEMBL27688584 0.83 ALDH1A1 (0.37) CA2TSHRCA1LMNASMN1; SMN2
SCHEMBL21799583 0.83 CA12 (0.50) CA12CA2CA4CA6CA5A

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-116209525-A Method for flotation of silicate-containing iron ore 巴斯夫欧洲公司 2023-06-02 CN disclosed