SCHEMBL29077330

SCHEMBL29077330

O=C(OC1(O)CCCC1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
ESR1 P03372 5/20 0.43
KMT2A Q03164 4/20 0.43
ESR2 Q92731 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 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
SCHEMBL25433953 0.92 MAPT (0.35) CA12CA1CA2CA7CA9
SCHEMBL27623312 0.90 RAB9A (0.36) CA12CA1CA2CA7CA9
SCHEMBL27761122 0.88 MAPT (0.35) CA12CA1CA2CA7CA9
SCHEMBL11033971 0.84 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL27705702 0.81 TSHR (0.44) CA12CA1CA2CA7CA9
SCHEMBL27850323 0.81 LMNA (0.47) KMT2AMEN1MAPTMAPK1TSHR
SCHEMBL5150615 0.76 CES2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL25433077 0.72 TSHR (0.39) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL25437179 0.70 ALDH1A1 (0.33) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL2250962 0.69 CA1 (0.65) CA12CA1CA2CA7CA9

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-116377727-A Laser stealth coating for fabric and application method thereof 西京学院 2023-07-04 CN disclosed