SCHEMBL27438786

SCHEMBL27438786

C=C(C(=O)OCCC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 6/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ATM Q13315 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
SCHEMBL9746066 0.88 TSHR (0.53) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL787671 0.86 TSHR (0.61) TSHRHCAR2ALDH1A1LMNAHPGD
SCHEMBL28791986 0.84 TSHR (0.44) TSHRTHRBALDH1A1TDP1HPGD
SCHEMBL8744223 0.84 ALDH1A1 (0.47) TSHRTHRBALDH1A1GAASMN1; SMN2
SCHEMBL28122100 0.84 TSHR (0.65) TSHRHCAR2ALDH1A1LMNA
SCHEMBL28328479 0.84 TSHR (0.65) TSHRHCAR2ALDH1A1LMNA
SCHEMBL28126298 0.84 TSHR (0.65) TSHRHCAR2ALDH1A1LMNA
SCHEMBL27558586 0.83 TSHR (0.42) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL28185686 0.83 TSHR (0.52) TSHRTHRBHCAR2ALDH1A1TDP1
SCHEMBL1896769 0.82 ALDH1A1 (0.48) TSHRTHRBALDH1A1GAASMN1; SMN2

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
CN-1043802-A POSITIVE SOLID BLOCK TONER DU PONT (US) 1990-07-11 CN disclosed