SCHEMBL2224913

SCHEMBL2224913

Cc1cc(-c2nc3cnc(Oc4ccc(F)cc4Cl)nc3o2)cc(C)c1[O]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.47
MAPT P10636 3/20 0.36
APP P05067 4/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 3/20 0.34
S1PR4 O95977 1/20 0.34
PKM P14618 1/20 0.34
CETP P11597 1/20 0.33
HPGD P15428 1/20 0.33
CEPT1 Q9Y6K0 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
SCHEMBL2223206 0.92 S1PR1 (0.47) S1PR1APPCYP1A2CYP3A4CYP2C19
SCHEMBL2222292 0.90 S1PR1 (0.44) S1PR1
SCHEMBL2223699 0.89 S1PR1 (0.45) S1PR1APPCYP1A2CYP3A4CYP2C19
SCHEMBL2223599 0.88 S1PR1 (0.47) S1PR1MAPTAPPCETPCEPT1
SCHEMBL2222541 0.87 S1PR1 (0.51) S1PR1MAPTAPPCYP1A2CYP3A4
SCHEMBL2222899 0.86 S1PR1 (0.51) S1PR1MAPTAPPCYP1A2CYP3A4
SCHEMBL2222186 0.85 S1PR1 (0.48) S1PR1MAPTAPPCYP1A2CYP3A4
SCHEMBL14797022 0.85 S1PR1 (0.68) S1PR1MAPTALDH1A1PKMCETP
SCHEMBL2222588 0.85 S1PR1 (0.52) S1PR1MAPTAPPCYP1A2CYP3A4
SCHEMBL2222985 0.85 S1PR1 (0.52) S1PR1MAPTCYP1A2CYP3A4CYP2C19

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-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed