SCHEMBL9790482

SCHEMBL9790482

CC(O)c1ccc(C(O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
UGT2B7 P16662 1/20 0.43
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA2A P08913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL6839350 0.91 KDM4E (0.46) KDM4ELMNAHIF1AADRA2CADRA2A
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1UGT2B7KDM4ELMNA
SCHEMBL9331061 0.85 NOS3 (0.54) NOS3NOS1UGT2B7KDM4ELMNA
SCHEMBL40655 0.85 NOS3 (0.54) NOS3NOS1UGT2B7KDM4ELMNA
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1UGT2B7KDM4ELMNA
SCHEMBL6055188 0.83 TYR (0.44) UGT2B7KDM4ELMNAHIF1AADRA2C
SCHEMBL29861025 0.83 CYP3A4 (0.46) KDM4ELMNAHIF1AADRA2CADRA2A
SCHEMBL801325 0.81 CHRNA7 (0.48) KDM4ELMNAHIF1AADRA2CADRA2A
SCHEMBL801000 0.81 CHRNA7 (0.48) KDM4ELMNAHIF1AADRA2CADRA2A
SCHEMBL14106841 0.81 ESR1 (0.59) KDM4ELMNAHIF1AALDH1A1RECQL

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
JP-3294241-A None JP disclosed
JP-H03294241-A ALPHA-(4-(1-HYDROXY-2-METHYLPROPYL)PHENYL) ETHANOL NIPPON PETROCHEM CO LTD 1991-12-25 JP disclosed