SCHEMBL31027992

SCHEMBL31027992

CCC(O)Oc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NR1I2 O75469 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AOC3 Q16853 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LDHA P00338 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL11303015 0.91 TSHR (0.46) NR1I2KMT2APPARGPPARALMNA
SCHEMBL12897836 0.88 HTT (0.41) CA12CA1CA2CA7CA9
SCHEMBL8674766 0.84 MAPT (0.44) PKMPPARGPPARA
SCHEMBL12897835 0.83 HSD11B1 (0.38) NR1I2AOC3ALDH1A1KMT2ALMNA
SCHEMBL11371209 0.83 LTA4H (0.47) KMT2ALMNA
SCHEMBL10359315 0.83 ACHE (0.41) ALDH1A1KMT2APPARGPPARALMNA
SCHEMBL6625371 0.81 SMN1; SMN2 (0.54) MTNR1AMTNR1B
SCHEMBL4258180 0.81 ALDH1A1 (0.43) ALDH1A1KMT2APPARGPPARA
SCHEMBL8062984 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10359293 0.81 PPARA (0.43) PPARGPPARA

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
CN-118405965-A Preparation method of 4- (3-hydroxy propoxy) phenol 徐州博康信息化学品有限公司 2024-07-30 CN disclosed