SCHEMBL9502470

SCHEMBL9502470

CC(C)(c1ccc(-c2ccc(C(C)(C)P(=O)(O)O)cc2)cc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 10/20 0.50
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
KIF11 P52732 2/20 0.37

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
SCHEMBL8999640 0.84 ESR1 (0.52) PGK1PGK2
SCHEMBL11759829 0.84 TSHR (0.48) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL17923871 0.82 PGK1 (0.46) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL2637396 0.82 FDPS (0.47) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL1099732 0.81 PTPN1 (0.58) PTPN5PGK1PGK2PTPN1
SCHEMBL6766182 0.77 PGK1 (0.37) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL11760465 0.77 PTPN1 (0.57) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL9017748 0.77 ENPP2 (0.47) PGK1PGK2PTPN1KIF11
SCHEMBL17008450 0.77 ALDH1A1 (0.42) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL5718106 0.77 PTPN5 (0.57) PTPN5PGK1PGK2PTPN1PTPN2

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
EP-0298361-B1 LIQUID DETERGENE CONTAINING DISULFONATED OPTICAL BRIGHTENERS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-4925595-A STORAGE STABLE DETERGENT CIBA-GEIGY CORPORATION (US) 1990-05-15 US disclosed
US-4147648-A Brightening compositions CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4118560-A Substituted 1,4-bis-styrylbenzene and 4,4'-bis styrylbiphenyl and their use as optical brightners CIBA-GEIGY CORPORATION (US) 1978-10-03 US disclosed