SCHEMBL29959448

SCHEMBL29959448

COC(=O)C1CC2Oc3ccccc3C2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.39
SLC6A4 P31645 6/20 0.39
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2338819 0.81 ATM (0.44) ATM
SCHEMBL17974163 0.76 ESR1 (0.40) SLC6A3SLC6A4
SCHEMBL30901243 0.72 MAOA (0.39) ATM
SCHEMBL29586848 0.71 KMT2A (0.41) ALDH1A1ATMCYP3A4TSHRHSD17B10
SCHEMBL29586933 0.71 KMT2A (0.41) ALDH1A1ATMCYP3A4TSHRHSD17B10
SCHEMBL24496707 0.71 KMT2A (0.41) ALDH1A1ATMCYP3A4TSHRHSD17B10
SCHEMBL6327261 0.71 KMT2A (0.41) ALDH1A1ATMCYP3A4TSHRHSD17B10
SCHEMBL28963664 0.70 SLC6A3 (0.36) SLC6A3SLC6A4ALDH1A1ATMCYP3A4
SCHEMBL29587118 0.70 KMT2A (0.40) ALDH1A1ATMTSHRHSD17B10GAA
SCHEMBL16751353 0.69 HTT (0.40) ALDH1A1CYP3A4MAPK1HSD17B10KMT2A

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-109476648-B Sevelamer antibody-drug conjugates and methods of use 豪夫迈·罗氏有限公司 2022-09-13 CN disclosed