SCHEMBL8923089

SCHEMBL8923089

COC(C)OC.O=CC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNFRSF1A P19438 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.42
KRAS P01116 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CXCL12 P48061 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL8922721 0.84 ALDH1A1 (0.52) MAPTALDH1A1MAPK1TDP1ATM
SCHEMBL360314 0.83 MAPK1 (0.58) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
SCHEMBL8923151 0.83 F3 (0.51) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
Phenylglyoxal SCHEMBL8924305 0.82 TDP1 (0.67) MAPTTNFRSF1AALDH1A1MAPK1TDP1
Water SCHEMBL1360217 0.81 MAPK1 (0.56) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
SCHEMBL10991995 0.81 MAPK1 (0.56) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
SCHEMBL8923535 0.78 MAOB (0.50) MAPTALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL13270530 0.77 TNFRSF1A (0.47) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
SCHEMBL222221 0.72 ALDH1A1 (0.74) MAPTCYP1A2CYP2C19TNFRSF1AALDH1A1
SCHEMBL6099699 0.71 L3MBTL1 (0.49) MAPTALDH1A1MAPK1ATMSMN1; SMN2

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
US-5610016-A REACTING A GLYOXAL DERIVATIVE, CHEMILUMINESCENCE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-03-11 US disclosed
EP-0675360-A2 Method for measuring adenyl group containing substances using heteropoly acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-10-04 EP disclosed