SCHEMBL31389231

SCHEMBL31389231

NCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA3 P07451 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA5A P35218 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
CA5B Q9Y2D0 1/20 0.65
MC1R Q01726 1/20 0.64
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL29376803 1.00 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL10339735 1.00 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL4101920 1.00 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL7970603 0.94 LMNA (0.61) CA12CA1CA2CA3CA4
SCHEMBL9797755 0.93 LMNA (0.63) MC1RLMNAALDH1A1MEN1KMT2A
SCHEMBL29568455 0.93 CA12 (0.57) CA12CA1CA2CA3CA4
SCHEMBL13151437 0.93 CA12 (0.57) CA12CA1CA2CA3CA4
SCHEMBL7973858 0.93 LMNA (0.62) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL7974076 0.91 LMNA (0.61) LMNAALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7974140 0.90 LMNA (0.60) LMNAALDH1A1MEN1KMT2AGAA

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-12234520-B1 Molecular marker significantly associated with vitamin E content in soybeans, kompetitive allele specific polymerase chain reaction primers combination and application thereof JIANGSU ACADEMY OF AGRICULTURAL SCIENCES (CN) 2025-02-25 US disclosed