SCHEMBL28285178

SCHEMBL28285178

CN(C)CCCCCCCCCCCCCCCCBr

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
TSHR P16473 1/20 0.69
DNM1 Q05193 3/20 0.55
SIGMAR1 Q99720 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4A O75164 6/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34

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
SCHEMBL11716299 1.00 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL14531094 1.00
SCHEMBL21246956 1.00 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
Bromide SCHEMBL9491844 0.97 ALDH1A1 (0.65) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL9162423 0.97
Bromide SCHEMBL7639265 0.94
SCHEMBL1650408 0.94 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL7904773 0.89 DNM1 (0.75) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL7903172 0.89 DNM1 (0.75) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL895778 0.87

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467980-A Polymer emulsion and its broad application temperature range prepared using lotion and the water-based ink binder with long-acting cleaning antibacterial functions 河南华丽纸业包装股份有限公司 2019-03-15 CN claimed
CN-109467980-A Polymer emulsion and its broad application temperature range prepared using lotion and the water-based ink binder with long-acting cleaning antibacterial functions 河南华丽纸业包装股份有限公司 2019-03-15 CN disclosed