SCHEMBL3430826

SCHEMBL3430826

CCCCCCCC[CH]CCCCCCCCC1CCO1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.78
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.36
PPARG P37231 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL5609735 1.00 EPHX1 (0.78) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL859151 1.00 EPHX1 (0.78) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL9263734 0.96 EPHX1 (0.71) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL5609230 0.93 EPHX1 (0.66) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL3854176 0.93 EPHX1 (0.66) EPHX1ALDH1A1CYP1A2TDP1TSHR
SCHEMBL459853 0.93 EPHX1 (0.66) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL1628137 0.92 EPHX1 (0.66) EPHX1ALDH1A1
SCHEMBL25303980 0.88 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL2731115 0.88 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL11122975 0.88 EPHX1 (1.00) EPHX1ALDH1A1CYP1A2TDP1RAD52

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-1071432-A1 COMPOSITION FOR AND TREATMENT OF INFLAMMATORY BOWEL DISEASE BY COLON ADMINISTRATION OF N-ACETYLGLUCOSAMINE Glucogenics Pharmaceuticals Inc. (CA) 2001-01-31 EP claimed
WO-1999053929-A1 COMPOSITION FOR AND TREATMENT OF INFLAMMATORY BOWEL DISEASE BY COLON ADMINISTRATION OF N-ACETYLGLUCOSAMINE GLUCOGENICS PHARMACEUTICALS INC. (CA) 1999-10-28 WO claimed
WO-2020142693-A1 TREATMENT OF THYMIC STROMAL LYMPHOPOIETIN (TSLP) RELATED DISEASES BY INHIBITION OF LONG-FORM TSLP TRANSCRIPTS EMPIRICO INC. (US) 2020-07-09 WO disclosed
EP-2259772-A2 CCR5 ANTAGONISTS AS PROPHYLACTICS FOR PREVENTING HIV INFECTION AND METHODS OF INHIBITING TRANSMISSION OF SAME Schering Corporation (US) 2010-12-15 EP disclosed
WO-2009111218-A2 CCR5 ANTAGONISTS AS PROPHYLACTICS FOR PREVENTING HIV INFECTION AND METHODS OF INHIBITING TRANSMISSION OF SAME SCHERING CORPORATION (US) 2009-09-11 WO disclosed