SCHEMBL4753902

SCHEMBL4753902

Cc1ccc(S(=O)(=O)O)c(C[C@@H](C)[C@H](C)Cc2cc(C)ccc2S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL10440008 0.92 LMNA (0.35) ALOX15ALOX12LMNACYP2C19CYP1A2
SCHEMBL30666800 0.90 LMNA (0.38) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL10646190 0.90 ALDH1A1 (0.38) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL17460403 0.90 LMNA (0.38) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL15311996 0.88 LMNA (0.37) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL30461150 0.88 LMNA (0.37) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL1942110 0.88 LMNA (0.37) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL1941890 0.88 LMNA (0.37) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL9950522 0.87 LMNA (0.36) ALOX15LMNACYP2C19CYP1A2CYP3A4
SCHEMBL2986680 0.87 CYP2C19 (0.39) ALOX15LMNACYP2C19CYP1A2CYP3A4

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-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed