SCHEMBL27355332

SCHEMBL27355332

CCCCCCCC(CCCCCC)C(O)OCCCCNCCCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
HTT P42858 1/20 0.37
EPHX1 P07099 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
DNM1 Q05193 1/20 0.36
ACHE P22303 3/20 0.34
USP2 O75604 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
SCHEMBL21295572 0.88 HTT (0.44) HTTDNM1USP2
SCHEMBL27255116 0.87 S1PR2 (0.35) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL2401504 0.86 HTT (0.43) HTTDNM1USP2
SCHEMBL26925526 0.81 SPHK1 (0.40) HTTDNM1USP2
SCHEMBL3237751 0.79 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8990536 0.78 USP2 (0.43) ALDH1A1HTTDNM1USP2
SCHEMBL28071184 0.78 HTT (0.42) HTTDNM1USP2
SCHEMBL1289353 0.75 TSHR (0.56) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL11879340 0.74 DNM1 (0.43) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL21828343 0.74 ALDH1A1 (0.42) ALDH1A1TSHRS1PR2S1PR4S1PR1

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
WO-2023250375-A1 CIRCULAR RNA ENCODING CHIMERIC ANTIGEN RECEPTORS TARGETING BCMA ORNA THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed