SCHEMBL8989063

SCHEMBL8989063

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 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
GALR3 O60755 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 1/20 0.35
FAAH O00519 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10796086 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10793944 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10804192 0.81 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1711788 0.80 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29964397 0.80 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL8989068 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3118875 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13238140 0.77 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12060077 0.77 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3143929 0.77 TSHR (0.36) 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