SCHEMBL7671768

SCHEMBL7671768

CCCCCCCCOC(=O)CC(C)NC(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL7672473 0.81 RAB9A (0.53) RAB9AHDAC1HDAC11HDAC8HDAC6
SCHEMBL8076395 0.81 PPARG (0.53) RAB9AHPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL8063792 0.81 PPARG (0.53) RAB9AHPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL8072402 0.81 PPARG (0.53) RAB9AHPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL7672412 0.80 EPHX2 (0.43) TSHRALDH1A1LMNA
SCHEMBL7672042 0.78 PTPN1 (0.44) TSHRALDH1A1LMNA
SCHEMBL7689788 0.78 TSHR (0.50) RAB9AHDAC1HDAC11HDAC8HDAC6
SCHEMBL8424812 0.77 PPARG (0.52) RAB9AHPGDTSHRALDH1A1L3MBTL1
SCHEMBL7666886 0.76 PPARG (0.51) RAB9AHDAC1HPGDHDAC3SMN1; SMN2
SCHEMBL7685263 0.76 ATM (0.54) HDAC1HDAC11HDAC8HDAC6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed