SCHEMBL7054328

SCHEMBL7054328

O=C(O)c1cc(C(=O)O)cc(C(=O)OC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
STS P08842 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MMP1 P03956 1/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
MMP2 P08253 1/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2611728 1.00 SERPINE1 (0.53) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL27653743 0.98 SERPINE1 (0.55) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL6577408 0.92 SERPINE1 (0.60) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL6879454 0.92 KMT2A (0.51) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL343297 0.90 SERPINE1 (0.62) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL108566 0.86 KMO (0.55) SMN1; SMN2STSMAPTLMNANPSR1
SCHEMBL6857427 0.85 SERPINE1 (0.58) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL109428 0.85 SMN1; SMN2 (0.60) SMN1; SMN2STSMAPTLMNANPSR1
SCHEMBL6851327 0.85 SERPINE1 (0.58) SERPINE1SMN1; SMN2STSMAPTLMNA
SCHEMBL6857436 0.85 SERPINE1 (0.58) SERPINE1SMN1; SMN2STSMAPTLMNA

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-1314714-A2 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP disclosed
EP-1042273-B1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AG (DE) 2003-05-07 EP disclosed