SCHEMBL28214745

SCHEMBL28214745

CCCC1(CCCCN)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
CPB2 Q96IY4 7/20 0.36
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27252932 0.91 DNM1 (0.35) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL9206671 0.90 DNM1 (0.52) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL28611608 0.90 DNM1 (0.52) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL9213432 0.88 DNM1 (0.48) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22373893 0.87 DNM1 (0.46) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15830654 0.85 USP2 (0.34) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL11118086 0.85 CETP (0.33) TSHRCYP1A2
SCHEMBL28209111 0.82 CETP (0.32) CYP1A2
SCHEMBL16985068 0.82 USP2 (0.31) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL5878561 0.82 USP2 (0.38) ALDH1A1TSHRCPB2GRIN2DGRIN3B

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-105593259-B Coating composition 阿克佐诺贝尔国际涂料股份有限公司 2018-04-13 CN disclosed