SCHEMBL9633386

SCHEMBL9633386

CC(=O)C(C)Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.43
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 2/20 0.41

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
SCHEMBL6617425 0.94 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11154253 0.86 CYP1A2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL10852195 0.84 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11527529 0.84 CYP1A2 (0.56) MAPTSMN1; SMN2HPGDCYP1A2GAA
SCHEMBL8939660 0.83 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL10879122 0.80 LMNA (0.56) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL9818914 0.79 CYP1A2 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL3081885 0.79 CYP1A2 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL9819072 0.79 CYP1A2 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11209577 0.78 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAPOLB

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-5114968-A Ovicides, pesticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0395578-A2 Acylated carbamic acid esters CIBA-GEIGY AG (CH) 1990-10-31 EP disclosed