SCHEMBL3685646

SCHEMBL3685646

Cc1cc(C)c(O)c(C2CCCC(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.39
PSMB5 P28074 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
TAS1R2 Q8TE23 4/20 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
SCHEMBL11700915 0.83 PSMB5 (0.46) UGT2B17PSMB5KDM4EALDH1A1LMNA
SCHEMBL11793557 0.81 PSMB5 (0.49) UGT2B17PSMB5KDM4EALDH1A1LMNA
SCHEMBL10452977 0.81 PSMB5 (0.49) UGT2B17PSMB5KDM4EALDH1A1LMNA
Methane SCHEMBL39470 0.80 PSMB5 (0.47) UGT2B17PSMB5KDM4EALDH1A1LMNA
Ethane SCHEMBL6550192 0.80 PSMB5 (0.47) UGT2B17PSMB5KDM4EALDH1A1LMNA
SCHEMBL6669915 0.80 ESR2 (0.40) UGT2B17PSMB5KDM4EALDH1A1LMNA
SCHEMBL2046611 0.79 ALDH1A1 (0.45) UGT2B17PSMB5KDM4EALDH1A1LMNA
Methane SCHEMBL4437465 0.78 PSMB5 (0.46) UGT2B17PSMB5KDM4EALDH1A1LMNA
SCHEMBL22430741 0.75 NR1I2 (0.36) GAANR1I2KDM4BCHRM1TBXA2R
SCHEMBL27628654 0.74 CHRNB2 (0.37)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed
EP-0114028-A2 Colour-photographic recording material CIBA-GEIGY AG (CH) 1984-07-25 EP disclosed