SCHEMBL4757311

SCHEMBL4757311

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)(C(C)(C)C)C(C(=O)O)=C(C)N1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NOTUM Q6P988 3/20 0.36
CYP2C9 P11712 2/20 0.32
HDAC4 P56524 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MAPK14 Q16539 2/20 0.31
USP2 O75604 1/20 0.30
MT-CO2 P00403 1/20 0.30
LMNA P02545 1/20 0.30
TTR P02766 1/20 0.30
PLA2G1B P04054 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5533178 0.81 HCAR2 (0.39) TSHRMAPK1NOTUMPDK1PDK2
SCHEMBL4755368 0.80 HCAR2 (0.36) NOTUMHDAC4
SCHEMBL4757278 0.77 CYP2C9 (0.34) TSHRMEN1KMT2ANOTUMCYP2C9
SCHEMBL4826843 0.73 HCAR3 (0.39) TSHRMEN1KMT2AMAPK1LMNA
SCHEMBL4814956 0.71 ALDH1A1 (0.32) KMT2AALDH1A1
SCHEMBL8511172 0.70 CYP2C9 (0.45) TSHRMEN1KMT2ANOTUMCYP2C9
SCHEMBL9101372 0.68 TSHR (0.37) TSHRMEN1KMT2ANOTUMCYP2C9
SCHEMBL2365028 0.68 TSHR (0.37) TSHRMEN1KMT2ANOTUMCYP2C9
SCHEMBL4758577 0.68 TSHR (0.36) TSHRMEN1KMT2ANOTUMCYP2C9
SCHEMBL7418565 0.64 CYP2C9 (0.33) TSHRMEN1KMT2ANOTUMCYP2C9

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-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed