SCHEMBL8977215

SCHEMBL8977215

CCCC(N)CCCCCCCCN

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
DNM1 Q05193 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
S1PR2 O95136 3/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR4 O95977 2/20 0.44

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
SCHEMBL11522031 1.00 ALDH1A1 (0.55) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL1008995 1.00 ALDH1A1 (0.55) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL28236086 1.00 ALDH1A1 (0.55) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL10501499 1.00 ALDH1A1 (0.55) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL11754625 1.00 ALDH1A1 (0.55) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL24883881 0.97 ALDH1A1 (0.52) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL18822227 0.97 ALDH1A1 (0.52) ALDH1A1DNM1MEN1KMT2ATSHR
SCHEMBL725914 0.97 ALDH1A1 (0.52) ALDH1A1DNM1MEN1KMT2ATSHR
Iodide SCHEMBL29117504 0.95 ALDH1A1 (0.50) ALDH1A1DNM1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL27922519 0.95 ALDH1A1 (0.50) ALDH1A1DNM1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117479964-A Tissue-selective single-component mRNA delivery vector and delivery system 中国科学院过程工程研究所 2024-01-30 CN claimed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed