SCHEMBL7716562

SCHEMBL7716562

Cc1ccc(CC(C)(S)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
CTBP2 P56545 1/20 0.41
SRD5A2 P31213 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 2/20 0.38
APEX1 P27695 2/20 0.38
RECQL P46063 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL3342965 0.84 SMN1; SMN2 (0.53) BLMSMN1; SMN2ALDH1A1RECQLLMNA
SCHEMBL9079706 0.80 LDHA (0.54) SMN1; SMN2CTBP2NPC1RAB9AIDO1
SCHEMBL4457891 0.80 BLM (0.47) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL15314315 0.78 ALDH1A1 (0.46) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL15218062 0.77 BLM (0.73) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL14547348 0.77 BLM (0.73) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL13519211 0.76 SMN1; SMN2 (0.43) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL11529482 0.76 PPARA (0.49) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL28392004 0.74 BLM (0.50) BLMHPGDSMN1; SMN2CTBP2SRD5A2
SCHEMBL27721177 0.74 OPRM1 (0.44) BLMNPC1RAB9ATDP1POLB

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-1218098-A1 MATRICES OF PROBES AND THEIR PREPARATION BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2002-07-03 EP disclosed
WO-2001017670-A1 MATRICES OF PROBES AND THEIR PREPARATION BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2001-03-15 WO disclosed