SCHEMBL27263244

SCHEMBL27263244

CCCS(=O)(=O)O.[NaH].c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
PSIP1 O75475 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ESR1 P03372 3/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HSD11B1 P28845 1/20 0.33
RAD52 P43351 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17440489 0.98 GAA (0.39) GAAPSIP1PKMTSHRSMN1; SMN2
SCHEMBL27262262 0.89 AR (0.38) GAAPSIP1TSHRESR1HPGD
Phenol SCHEMBL17102999 0.82 CA12 (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Catechol SCHEMBL28455903 0.79 CA12 (0.42) GAAPSIP1PKMTSHRSMN1; SMN2
Chlorobenzene SCHEMBL27670059 0.79 TSHR (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Toluene SCHEMBL28166100 0.79 LMNA (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Naphthalene SCHEMBL30775918 0.78 GAA (0.43) GAAPSIP1PKMTSHRSMN1; SMN2
Naphthalene SCHEMBL12468496 0.78 GAA (0.43) GAAPSIP1PKMTSHRSMN1; SMN2
SCHEMBL28537144 0.78 SMN1; SMN2 (0.44) GAAPSIP1PKMTSHRSMN1; SMN2
Aniline SCHEMBL8010474 0.77 TSHR (0.44) GAAPSIP1PKMTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1087619-A The separation method of catalyst-aldehde product UNION CARBIDE CHEM PLASTIC (US) 1994-06-08 CN disclosed
CN-1087620-A The separation method of catalyst-aldehde product UNION CARBIDE CHEM PLASTIC (US) 1994-06-08 CN disclosed
CN-1024186-C Process for the separation of catalyst aldehyde product UNION CARBIDE CORP (US) 1994-04-13 CN disclosed
CN-1046731-A Process for the separation of catalyst aldehyde product UNION CARBIDE CORP (US) 1990-11-07 CN disclosed