SCHEMBL7853009

SCHEMBL7853009

C=C(Cc1cc[c]cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA2 P00918 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
CTBP2 P56545 6/20 0.34
F2 P00734 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PLG P00747 1/20 0.32

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
SCHEMBL3426193 0.84 CA2 (0.46) CES2CES1AKR1B1CA2CAMK2A
SCHEMBL41907 0.80 CES1 (0.58) CES2CES1AKR1B1CTBP2CYP3A4
SCHEMBL2732935 0.78 LMNA (0.54) CES2CES1AKR1B1CA2CAMK2A
Hydrochloric Acid SCHEMBL27862997 0.78 CES1 (0.56) CES2CES1AKR1B1CTBP2CYP3A4
Bromide SCHEMBL11497452 0.78 CES1 (0.56) CES2CES1AKR1B1CTBP2CYP3A4
SCHEMBL27564061 0.78 CES1 (0.56) CES2CES1AKR1B1CTBP2CYP3A4
SCHEMBL238714 0.78 AKR1B1 (0.61) CES2CES1AKR1B1CA2CAMK2A
SCHEMBL17503650 0.78 CES2 (0.32) CES2CES1AKR1B1CA2CAMK2A
SCHEMBL83884 0.77 CA2 (0.61) CA2CAMK2ACTBP2LMNAFNTA
SCHEMBL21381425 0.76 CES1 (0.36) CES2CES1AKR1B1CA2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095015-A2 SULFONYLAMINO CARBOXYLIC ACID N-ARYLAMIDES AS GUANYLATE CYCLASE ACTIVATORS Aventis Pharma Deutschland GmbH (DE) 2001-05-02 EP claimed
WO-2000002850-A2 SULFONYLAMINO CARBOXYLIC ACID N-ARYLAMIDES AS GUANYLATE CYCLASE ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-20 WO claimed
EP-1095015-A2 SULFONYLAMINO CARBOXYLIC ACID N-ARYLAMIDES AS GUANYLATE CYCLASE ACTIVATORS Aventis Pharma Deutschland GmbH (DE) 2001-05-02 EP disclosed
WO-2000002850-A2 SULFONYLAMINO CARBOXYLIC ACID N-ARYLAMIDES AS GUANYLATE CYCLASE ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-20 WO disclosed