SCHEMBL4386413

SCHEMBL4386413

Cc1cccc(CCO)c1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TRPV1 Q8NER1 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GAA P10253 2/20 0.34
TRPA1 O75762 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ATM Q13315 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11312776 0.88 GABRA1 (0.45) ALDH1A1TSHRHTTTAAR1TRPV1
SCHEMBL3365956 0.86 ALDH1A1 (0.44) ALDH1A1TSHRHTTTAAR1TRPV1
SCHEMBL8918996 0.84 TDP1 (0.42) ALDH1A1TSHRHTTTAAR1TDP1
SCHEMBL629761 0.80 ESR1 (0.46) ALDH1A1TAAR1TDP1PDCD1CD274
SCHEMBL42669 0.79 TAAR1 (0.60) ALDH1A1TSHRTAAR1TDP1GPR84
SCHEMBL29369717 0.79 TAAR1 (0.60) ALDH1A1TSHRTAAR1TDP1GPR84
SCHEMBL7511791 0.78 TRPA1 (0.48) ALDH1A1TSHRHTTTRPV1TDP1
Water SCHEMBL29281670 0.78 ESR1 (0.44) ALDH1A1TAAR1TDP1PDCD1CD274
Ammonia Solution, Strong SCHEMBL27972660 0.78 ESR1 (0.44) ALDH1A1TAAR1TDP1PDCD1CD274
SCHEMBL1917835 0.78 ALDH1A1 (0.54) ALDH1A1HTTTAAR1TRPA1GPR84

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed