SCHEMBL2888115

SCHEMBL2888115

NCCCC(CN)CCC(CN)CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NFKB1 P19838 1/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL24176856 0.97 ALDH1A1 (0.42) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL713294 0.97 ALDH1A1 (0.46) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL473168 0.90 ALDH1A1 (0.42) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL199628 0.90 NFKB1 (0.44) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL5821217 0.90
SCHEMBL6222932 0.88 DNM1 (0.47) ALDH1A1TDP1NFKB1CA12CA1
Ammonia Solution, Strong SCHEMBL9320907 0.88 NFKB1 (0.41) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL16689964 0.88 ALDH1A1 (0.40) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL21277459 0.88 DNM1 (0.47) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL10182894 0.83 ALDH1A1 (0.68) ALDH1A1TDP1DNM1LMNATSHR

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-20100273734-A1 Derivatives of Hyaluronic Acids NOVOZYMES BIOPOLYMER A/S (DK) 2010-10-28 US disclosed