SCHEMBL8362147

SCHEMBL8362147

C=C(C)C(=O)OC(C(=O)C(=C)C)(C(=O)C(=C)C)C(CO)(CO)COS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
DHFR P00374 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 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
SCHEMBL8362150 0.85 ALDH1A1 (0.44) CA12CA1CA2CA9DHFR
SCHEMBL6802558 0.79 LMNA (0.43) CA12CA1CA2CA9TSHR
SCHEMBL8578222 0.77
Aminobenzoic Acid SCHEMBL6802563 0.77 HTT (0.40) CA1CA2TSHRTDP1ALDH1A1
SCHEMBL8578226 0.75
SCHEMBL8362090 0.72 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL27869156 0.71 CA1 (0.42) CA12CA1CA2CA9DHFR
SCHEMBL7721993 0.71 ALDH1A1 (0.47) TSHRSMN1; SMN2TDP1ALDH1A1NPC1
SCHEMBL7728821 0.71 ADRB2 (0.41) ALDH1A1NPC1
Methacrylic Acid SCHEMBL28197420 0.69 CA1 (0.45) CA12CA1CA2CA9DHFR

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
US-5886136-A Pattern forming process NIPPON ZEON CO., LTD. (JP) 1999-03-23 US disclosed