SCHEMBL8871882

SCHEMBL8871882

C=CCOC(=O)Nc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.59
NPC1 O15118 8/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 2/20 0.54
ALOX15 P16050 1/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
SAE1 Q9UBE0 1/20 0.50

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
SCHEMBL7116824 0.84 TGM2 (0.54) TGM2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3230113 0.82 SMN1; SMN2 (0.59) TGM2NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25855377 0.81 RAB9A (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL5073940 0.81 TGM2 (0.54) TGM2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23409950 0.81 MAPT (0.45) TGM2NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9508841 0.81 CASP1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL24341135 0.81 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL7556396 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL160077 0.80 NPC1 (0.54) TGM2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL23629625 0.80 NAMPT (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1POLB

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-5621084-A Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1997-04-15 US disclosed
EP-0676236-A1 Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1995-10-11 EP disclosed