SCHEMBL7269471

SCHEMBL7269471

COc1ccc(S(=O)(=O)O)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
TUBB1 Q9H4B7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GSK3B P49841 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL17169199 0.85 ALDH1A1 (0.38) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL668439 0.84 HTR6 (0.47) MAPTALDH1A1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1796557 0.82 HTR6 (0.46) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL11564635 0.81 CNR2 (0.44) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL17705867 0.80 CA12 (0.50) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL29785793 0.80 TRPV4 (0.55) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL4207227 0.80 CA2 (0.49) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL2494766 0.80 TRPV4 (0.55) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL27803022 0.79 TRPV4 (0.36) MAPTTDP1ALDH1A1KMT2ALMNA
SCHEMBL17303412 0.78 POLB (0.46) MAPTTDP1ALDH1A1KMT2ALMNA

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-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US disclosed