SCHEMBL6680771

SCHEMBL6680771

CC1(Cl)C=CC(C(=O)O)(c2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR2 P41597 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28890126 0.85 AKR1C1 (0.46) AKR1C1KMT2AHTTOPRM1OPRL1
SCHEMBL6677394 0.81 AKR1C1 (0.37) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6679652 0.79 CES2 (0.36) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6639935 0.79 OPRM1 (0.39) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6677414 0.78 KMT2A (0.40) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6681685 0.77 AKR1C1 (0.34) AKR1C1MEN1KMT2AHTTLMNA
SCHEMBL6677871 0.77 AKR1C1 (0.34) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6678308 0.77 AKR1C1 (0.34) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL6676563 0.74 ATM (0.37) AKR1C1MEN1KMT2AHTTCYP1A2
SCHEMBL5614157 0.73 HCAR3 (0.36) AKR1C1MEN1KMT2ACYP1A2HCAR3

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed