SCHEMBL5867366

SCHEMBL5867366

CCCc1ccccc1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
HTT P42858 1/20 0.43
FOLH1 Q04609 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MME P08473 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5867367 1.00 CA1 (0.45) CA1CA2CA12CA9FNTA
SCHEMBL12984095 0.87 CA2 (0.45) CA1CA2CA12CA9HTT
SCHEMBL2329913 0.86 TAS1R3 (0.44) FNTAFNTBHTTFOLH1KDM4E
SCHEMBL2329917 0.85 ICMT (0.45) FNTAFNTBHTTALDH1A1KDR
SCHEMBL12983954 0.84 PYGL (0.42) CA1CA2CA12CA9HTT
SCHEMBL2327518 0.83 HTT (0.40) CA1CA2CA12CA9HTT
SCHEMBL12984872 0.83 PYGL (0.49) HTTFOLH1ALDH1A1KDRADRB2
SCHEMBL2327525 0.83 HTT (0.40) CA1CA2CA12CA9HTT
SCHEMBL2330698 0.82 CA2 (0.42) CA1CA2CA12CA9FNTA
SCHEMBL2327141 0.82 ALDH1A1 (0.51) CA1CA2CA12CA9FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP claimed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US claimed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO claimed
WO-2018017408-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO disclosed
WO-2018017390-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO disclosed
US-7118736-B2 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL (FR) 2006-10-10 US disclosed
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP disclosed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US disclosed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO disclosed
US-4992267-A Mixture of alkali metal hydroxide and disulfide reducing agent JOHNSON PRODUCTS CO., INC. (US) 1991-02-12 US disclosed