SCHEMBL9792155

SCHEMBL9792155

CC(C)CCCCCCCCCCNC(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX1 P07099 8/20 0.33
EPHX2 P34913 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL9792153 0.83 NAAA (0.51) NAAAEPHX1EPHX2TSHR
SCHEMBL4096348 0.76 ALDH1A1 (0.43) ALDH1A1NAAACYP1A2CYP3A4CYP2C19
SCHEMBL27434312 0.75 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9792160 0.69 LMNA (0.39) ALDH1A1CYP1A2SMN1; SMN2EPHX1MMP8
SCHEMBL10174280 0.69 NAAA (0.66) ALDH1A1NAAACYP3A4CYP2C19SMN1; SMN2
SCHEMBL9792159 0.69 ALDH1A1 (0.41) ALDH1A1NAAACYP3A4SMN1; SMN2MMP8
SCHEMBL27434311 0.68 SIGMAR1 (0.42) ALDH1A1NAAACYP1A2CYP3A4CYP2C9
SCHEMBL9391718 0.68 SIGMAR1 (0.34)
SCHEMBL11055203 0.67 CXCR4 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28100087 0.67 CXCR4 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-5028259-A Extracting Gold And Silver From Aqueous Cyanide Solutions Using Guanidine Reagents HENKEL RESEARCH CORPORATION (US) 1991-07-02 US disclosed