SCHEMBL5867331

SCHEMBL5867331

CCC(N[C@@H](CCS)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MME P08473 3/20 0.48
EPHX2 P34913 2/20 0.45
TACR3 P29371 8/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
KCNA5 P22460 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR2 P21452 3/20 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
SCHEMBL5867334 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL5867677 0.87 MME (0.54) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL5867674 0.87 MME (0.54) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL27505417 0.83 APAF1 (0.53) MME
Biphenyl SCHEMBL2328203 0.78 MME (0.42) MME
SCHEMBL21722104 0.76 C3AR1 (0.46) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL30178241 0.75 LMNA (0.55) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL26638286 0.75 LMNA (0.59) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL10620657 0.75 MME (0.50) ALDH1A1MMETACR3
SCHEMBL29224714 0.75 MME (0.58) KDM4EALDH1A1LMNAHPGDTSHR

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 8 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
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