SCHEMBL16488403

SCHEMBL16488403

O=C(Oc1ccccc1)[C@H]1O[C@@H]1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ELANE P08246 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
P4HB P07237 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL14967665 0.81 ALDH1A1 (0.46) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL16639436 0.81 ALDH1A1 (0.46) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL9133118 0.79 TSHR (0.60) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL20253793 0.77 ALDH1A1 (0.46) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL20253764 0.77 ALDH1A1 (0.46) ALDH1A1ELANETDP1ATML3MBTL1
Potassium Ion SCHEMBL11168186 0.77 ALDH1A1 (0.42) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL9134240 0.76 TSHR (0.42) ALDH1A1ELANEHPGDTSHRKMT2A
SCHEMBL20253730 0.76 ALDH1A1 (0.45) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL14967504 0.75 TSHR (0.44) ALDH1A1ELANETDP1ATML3MBTL1
SCHEMBL27541964 0.75 ALDH1A1 (0.41) ALDH1A1ELANETDP1ATML3MBTL1

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-2837630-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LAB TIANJIN CO LTD (CN) 2016-11-23 EP disclosed
EP-2837630-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed