SCHEMBL6960207

SCHEMBL6960207

CC(C)c1cc(Cc2nc3cccc(Br)c3o2)cc(C(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GSR P00390 1/20 0.35
LMNA P02545 3/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL6969232 0.81 DHFR (0.39) DHFRGSRLMNACYP1A2CYP3A4
SCHEMBL6960025 0.76 GRM5 (0.34) DHFRLMNATP53SMN1; SMN2ELANE
SCHEMBL7734764 0.72 DHFR (0.40) DHFRGABRA1GABRB1GSRLMNA
SCHEMBL21685149 0.71 ELANE (0.37) ELANEMEN1KMT2AMTNR1AMTNR1B
SCHEMBL1854629 0.70 KMT2A (0.42) CYP1A2CYP3A4HTR2CHTR2BSMN1; SMN2
SCHEMBL21685060 0.68 MAPT (0.40) ELANEKMT2AMTNR1AMTNR1BMAPT
SCHEMBL13058661 0.68 MTNR1A (0.46) TP53ELANEKMT2AMTNR1AMTNR1B
SCHEMBL2467528 0.66 GSR (0.63) DHFRGABRA1GABRB1GSRLMNA
SCHEMBL21685783 0.65 CYP1A2 (0.42) CYP1A2ELANEMTNR1AMTNR1BALDH1A1
SCHEMBL28590076 0.65 KDM4E (0.41) HPGDSMN1; SMN2KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed