SCHEMBL8307727

SCHEMBL8307727

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(S(C)(=O)=O)c2c1SCCO2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP2 O95551 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.31
HCRTR2 O43614 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8311002 0.87 HTT (0.34) ALDH1A1TSHRKDM4EMEN1USP2
SCHEMBL8307229 0.86 TSHR (0.32) ALDH1A1TSHRKDM4EMEN1USP2
SCHEMBL8524088 0.85 HCRTR2 (0.41) ALDH1A1HCRTR2
SCHEMBL8492955 0.82 ALDH1A1 (0.36) ALDH1A1TDP2POLBTSHRLMNA
SCHEMBL8493474 0.79 TSHR (0.37) ALDH1A1TDP2POLBTSHRHCRTR2
SCHEMBL8524545 0.79 KMT2A (0.33) ALDH1A1POLBTSHRHCRTR2KDM4E
SCHEMBL8488379 0.78 HTT (0.38) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL8490660 0.78 TP53 (0.36) ALDH1A1POLBTSHRKDM4EMEN1
SCHEMBL9117063 0.78 HTT (0.42) ALDH1A1POLBTSHRKDM4EMEN1
SCHEMBL8492769 0.78 POLB (0.35) ALDH1A1POLBLMNAMAPTHSD17B10

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed