SCHEMBL9054626

SCHEMBL9054626

CCC(c1c(OC)cccc1OC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL7741242 0.83 GLA (0.44) KDM4EALDH1A1KMT2AHTTNPSR1
SCHEMBL7067944 0.74 TUBB4A (0.46) ALDH1A1TSHRNPSR1GAAACHE
SCHEMBL9052739 0.74 BCHE (0.45) ALDH1A1TSHRL3MBTL1LMNATAS1R3
SCHEMBL5916381 0.74 LMNA (0.44) KDM4EPOLBALDH1A1TSHRKMT2A
SCHEMBL27665536 0.70 CA1 (0.39) KDM4ECA1CA2CA12CA7
Propionic Acid SCHEMBL27946489 0.69 KDM4E (0.56) KDM4ECA1CA2CA12CA7
SCHEMBL18686368 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRKMT2AHTT
SCHEMBL3096724 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AHTTNPSR1
SCHEMBL8007725 0.69 CPN1 (0.47) KDM4EPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL10750670 0.68 HTT (0.40) ALDH1A1TSHRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed