SCHEMBL7734764

SCHEMBL7734764

CC(C)c1cc(Cc2nc3c(O)cccc3o2)cc(C(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
GSR P00390 1/20 0.37
GABRA1 P14867 4/20 0.37
LMNA P02545 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRA6 Q16445 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRG2 P18507 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL1857128 0.73 HTR2B (0.47) CYP1A2CYP3A4HTR2BSMN1; SMN2MAPT
SCHEMBL6962816 0.73 ACHE (0.39) GABRA1GABRB2TSHRMAPTMEN1
SCHEMBL6960207 0.72 DHFR (0.38) DHFRGSRGABRA1LMNAGABRB2
SCHEMBL9905050 0.70 ACHE (0.39) GABRA1LMNAGABRB2CA1CA2
SCHEMBL2792576 0.70 ACHE (0.39) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL2467528 0.68 GSR (0.63) DHFRGSRGABRA1LMNAGABRB2
SCHEMBL1121537 0.66 GSR (0.61) DHFRGSRGABRA1LMNAGABRB2
SCHEMBL9442168 0.66 GSR (0.52) DHFRGSRGABRA1LMNAGABRB2
SCHEMBL29160382 0.66 ELANE (0.45) LMNATSHRMAPTMAPK1
SCHEMBL11291774 0.66 HSD17B10 (0.44) CYP1A2TSHRMEN1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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