SCHEMBL8988942

SCHEMBL8988942

CC(=O)OC(C)CCC=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GALR3 O60755 1/20 0.45
BLM P54132 1/20 0.45
FAAH O00519 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
PGD P52209 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL31354522 0.84 FAAH (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10793944 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10804192 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10796086 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6864349 0.81 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1301667 0.81 ALOX15 (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18987284 0.81 LMNA (0.48) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL30464014 0.81 ALOX15 (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11543731 0.80 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6247034 0.79 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R

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-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed