SCHEMBL10696250

SCHEMBL10696250

CC(C)CCCCC(c1ccccc1O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.36
MMP9 P14780 1/20 0.36
AKT1 P31749 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
PTGS1 P23219 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL9838259 0.90 TSHR (0.50) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623485 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623306 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623718 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623303 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9622726 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623579 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL9623317 0.88 TSHR (0.48) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL4316171 0.86 TSHR (0.50) GABRA1GABRB2TSHRPOLBALOX15
SCHEMBL8828951 0.85 TSHR (0.52) GABRA1GABRB2TSHRPOLBALDH1A1

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
EP-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed