SCHEMBL9059766

SCHEMBL9059766

CC(C)c1cccc(C(C)C)c1S(=O)(=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 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
SCHEMBL28542040 0.81 MMP2 (0.46) FFAR1MMP2MMP7MMP14GABRA1
SCHEMBL8941146 0.75 SOAT2 (0.47)
SCHEMBL8962380 0.75 LMNA (0.47) LMNAKMT2ASMN1; SMN2
SCHEMBL2742118 0.72 FABP3 (0.61) GABRA1GABRG2GABRB3LMNAFAAH
Hydrochloric Acid SCHEMBL8383837 0.71 FABP3 (0.59) GABRA1GABRG2GABRB3LMNAFAAH
SCHEMBL8136318 0.69 GABRA1 (0.57) GABRA1GABRG2GABRB3LMNAFAAH
SCHEMBL14199188 0.69 MMP2 (0.58) FFAR1MMP2MMP7MMP14
SCHEMBL8379505 0.69 GABRA1 (0.44) GABRA1GABRG2GABRB3LMNAFAAH
Propofol SCHEMBL4126066 0.68 GABRA1 (0.68) FFAR1GABRA1GABRG2GABRB3LMNA
SCHEMBL2554055 0.68 AKR1B1 (0.55) GABRA1LMNACYP1A2GABRB2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed