SCHEMBL8935737

SCHEMBL8935737

CC[C@H](Oc1ccccc1C(C)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LTB4R Q15722 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 4/20 0.44
PPARG P37231 4/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ABCB1 P08183 1/20 0.43
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41

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
SCHEMBL7568990 1.00 LMNA (0.49) LMNAKDM4ESMN1; SMN2ALDH1A1LTB4R
SCHEMBL5512458 0.89 KDM4E (0.53) LMNAKDM4ESMN1; SMN2ALDH1A1IRAK4
SCHEMBL6780384 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LTB4RMAPTPPARA
SCHEMBL8935641 0.80 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1PPARAPPARG
SCHEMBL8935961 0.80 SMN1; SMN2 (0.49) LMNASMN1; SMN2LTB4RMAPTL3MBTL1
SCHEMBL4650644 0.80 KMT2A (0.62) LMNASMN1; SMN2ALDH1A1L3MBTL1PPARA
SCHEMBL17633012 0.80 SMN1; SMN2 (0.49) LMNASMN1; SMN2LTB4RMAPTPPARA
SCHEMBL3879629 0.80 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1PPARAPPARG
SCHEMBL8935639 0.80 KMT2A (0.62) LMNASMN1; SMN2ALDH1A1L3MBTL1PPARA
SCHEMBL27479098 0.80 IRAK4 (0.53) LMNAKDM4ESMN1; SMN2ALDH1A1IRAK4

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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed