SCHEMBL7553505

SCHEMBL7553505

C=CC[C@]1(C(=O)O)COc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
GSK3B P49841 1/20 0.32
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7555883 1.00 ALOX15 (0.36) ALOX15MEN1KMT2AALDH1A1POLB
SCHEMBL7553510 1.00 ALOX15 (0.36) ALOX15MEN1KMT2AALDH1A1POLB
SCHEMBL9604263 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1POLBALOX5
SCHEMBL10334535 0.80 ALOX15 (0.42) ALOX15ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL11664024 0.73 ALOX15 (0.33) ALOX15LMNA
SCHEMBL8308888 0.71 ALOX15 (0.43) ALOX15ALDH1A1HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL10545348 0.69 ALOX15 (0.40) ALOX15MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL1463776 0.69
SCHEMBL1986826 0.68 ALOX15 (0.44) ALOX15ALDH1A1HTTNPC1RAB9A
SCHEMBL11495165 0.68 ALOX15 (0.41) ALOX15ALDH1A1HTTNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP claimed