SCHEMBL6983914

SCHEMBL6983914

CCCCCCCC(=O)C(Br)Cc1cc(OC)c(Cl)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PAK1 Q13153 1/20 0.40
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6950431 0.76 L3MBTL1 (0.44) TRPV1ALDH1A1TSHRLMNANPSR1
SCHEMBL6987576 0.74 TSHR (0.43) ALDH1A1TSHRLMNAL3MBTL1MEN1
SCHEMBL6703841 0.72 ZDHHC7 (0.46) TRPV1ALDH1A1TSHRLMNANPSR1
SCHEMBL11168309 0.67 ALOX15 (0.50) TSHRLMNAL3MBTL1MEN1KMT2A
SCHEMBL5318813 0.67 ALOX15 (0.50) TSHRLMNAL3MBTL1MEN1KMT2A
SCHEMBL7335421 0.67 ALOX15 (0.50) TSHRLMNAL3MBTL1MEN1KMT2A
SCHEMBL6060692 0.66 TRPV1 (0.64) TRPV1ALDH1A1TSHRMEN1KMT2A
SCHEMBL24765233 0.66 TAAR1 (0.56) HTR2ATAAR1
SCHEMBL2560789 0.65 HTR2A (0.73) HTR2ATSHRLMNACYP1A2CYP3A4
SCHEMBL10394093 0.64 TAAR1 (0.61) HTR2AALDH1A1TSHRLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed