SCHEMBL8894982

SCHEMBL8894982

CC[CH]C(=O)OC(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.63
FFAR1 O14842 1/20 0.41
LTB4R Q15722 6/20 0.41
LTB4R2 Q9NPC1 6/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 3/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM4 O15151 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL8894006 0.87 HCAR2 (0.59) HCAR2FFAR1LTB4RLTB4R2ALDH1A1
SCHEMBL11038630 0.84 LMNA (0.46) HCAR2ALDH1A1KMT2AMEN1TSHR
SCHEMBL8893096 0.84 HCAR2 (0.56) HCAR2LTB4RLTB4R2ALDH1A1HSD17B10
SCHEMBL8894250 0.83 HCAR2 (0.55) HCAR2ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL10339803 0.82 HCAR2 (0.89) HCAR2FFAR1LTB4RLTB4R2ALDH1A1
SCHEMBL573375 0.82 HCAR2 (0.89) HCAR2FFAR1LTB4RLTB4R2ALDH1A1
SCHEMBL8895081 0.82 HCAR2 (0.54) HCAR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8896300 0.82 HCAR2 (0.54) HCAR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8896104 0.82 HCAR2 (0.54) HCAR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8894632 0.82 HCAR2 (0.54) HCAR2ALDH1A1SMN1; SMN2LMNA

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed