SCHEMBL8595072

SCHEMBL8595072

O=P(O)(O)C(=Cc1ccccc1)N(C(=Cc1ccccc1)P(=O)(O)O)C(=Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
AKR1C3 P42330 1/20 0.41
NR1I2 O75469 1/20 0.41
AKR1C1 Q04828 1/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
FBP1 P09467 3/20 0.37
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PRMT1 Q99873 1/20 0.36
CYP2A6 P11509 1/20 0.36
ESR1 P03372 1/20 0.35
MCL1 Q07820 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9246618 0.76 NR1I2 (0.53) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL27761502 0.72 TSHR (0.47) TSHRALDH1A1AKR1C3NR1I2AKR1C1
Phosphoric Acid SCHEMBL29150326 0.71 TSHR (0.41) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL9001674 0.71 AKR1C1 (0.48) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL2223293 0.71 AKR1C3 (0.50) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL2223295 0.71 AKR1C3 (0.50) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL1579379 0.71 AKR1C1 (0.48) TSHRALDH1A1AKR1C3NR1I2AKR1C1
Phosphoric Acid SCHEMBL28335598 0.68 ESR1 (0.61) TSHRALDH1A1AKR1C1PRMT1ESR1
SCHEMBL9512308 0.68 AKR1C3 (0.52) TSHRALDH1A1AKR1C3NR1I2AKR1C1
SCHEMBL9508762 0.68 AKR1C3 (0.52) TSHRALDH1A1AKR1C3NR1I2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602192-A BLEND OF PHENOLIC BINDER AND ADJUVANT KAO CORPORATION (JP) 1997-02-11 US claimed
EP-0465919-B1 Process for producing a foundry mold KAO CORP (JP) 1998-09-09 EP disclosed
US-5646199-A WATER SOLUBLE PHENOLIC RESIN, ORGANIC ESTER COMPOUND, AND METALLIC ELEMENT OR COMPOUND KAO CORPORATION (JP) 1997-07-08 US disclosed
US-5602192-A BLEND OF PHENOLIC BINDER AND ADJUVANT KAO CORPORATION (JP) 1997-02-11 US disclosed
EP-0524611-B1 Composition for mold KAO CORP (JP) 1996-01-10 EP disclosed
EP-0524611-A1 Composition for mold KAO CORPORATION (JP) 1993-01-27 EP disclosed
EP-0465919-A1 Process for producing sand mold Kao Corporation (JP) 1992-01-15 EP disclosed