SCHEMBL28649657

SCHEMBL28649657

O=C(O)c1cccc(C(=O)OCC(O)O)c1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ADRB2 P07550 8/20 0.45
ADRB1 P08588 8/20 0.45
ADRB3 P13945 8/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
APEX1 P27695 1/20 0.42
FOLH1 Q04609 1/20 0.42
AKR1C3 P42330 1/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 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
SCHEMBL4762265 0.98 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL4762261 0.91 ALDH1A1 (0.58) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL8203711 0.85 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL7946052 0.84 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL10455395 0.83 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1ADRB3TDP1
Benzoic Acid SCHEMBL10978494 0.83 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL27574211 0.82 TDP1 (0.60) TDP1CA12CA1CA2CA6
SCHEMBL13217500 0.82 ALDH1A1 (0.78) ALDH1A1ADRB2ADRB1ADRB3TDP1
SCHEMBL28859254 0.82 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3CA2
SCHEMBL7946054 0.82 TDP1 (0.51) ALDH1A1TDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151687-A Core-sheath composite fiber for artificial hair, head ornament product comprising same, and method for producing same 株式会社钟化 2022-10-04 CN disclosed
CN-115151155-A Core-sheath composite fiber for artificial hair, head ornament product comprising same, and method for producing same 株式会社钟化 2022-10-04 CN disclosed
CN-110418584-B Core-sheath composite fiber for artificial hair and headwear product comprising same 株式会社钟化 2021-11-23 CN disclosed
CN-113453573-A Core-sheath composite fiber for artificial hair, head ornament product comprising same, and method for producing same 株式会社钟化 2021-09-28 CN disclosed
CN-113438907-A Core-sheath composite fiber for artificial hair, head ornament product comprising same, and method for producing same 株式会社钟化 2021-09-24 CN disclosed