SCHEMBL19975643

SCHEMBL19975643

Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2cccc(S(=O)(=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SNCA P37840 2/20 0.41
CA12 O43570 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP19A1 P11511 1/20 0.38
CLTC Q00610 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL19975642 0.90 SNCA (0.42) SNCACLTC
SCHEMBL4921374 0.87 CYP3A4 (0.46) BCHEACHESNCACA12CYP1A2
SCHEMBL8374461 0.79 PTGS2 (0.39) SNCACA2CA7ALDH1A1GAA
SCHEMBL10484476 0.78 KMT2A (0.47) SNCACA12CYP1A2CYP3A4CA9
Bromide SCHEMBL2447513 0.77 SNCA (0.61) ACHESNCACYP3A4L3MBTL1CYP19A1
Hydrochloric Acid SCHEMBL2452316 0.77 SNCA (0.58) ACHESNCACYP3A4L3MBTL1CYP19A1
SCHEMBL10484468 0.77 ALDH1A1 (0.50) SNCACNR2ALDH1A1GAAHTT
SCHEMBL9634534 0.76 HIF1A (0.52) BCHEACHECA12CYP1A2CYP3A4
SCHEMBL10484517 0.76 PTGDR2 (0.40) L3MBTL1GAA
SCHEMBL8377224 0.76 SNCA (0.53) ACHESNCACYP3A4ALDH1A1HTT

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-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed