SCHEMBL7301887

SCHEMBL7301887

O=[PH](O)OCCc1ccc2ccccc2c1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
CYP1A2 P05177 1/20 0.48
SOX18 P35713 1/20 0.44
SLC13A5 Q86YT5 1/20 0.42
PDPK1 O15530 1/20 0.42
FFAR1 O14842 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
APP P05067 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39

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
SCHEMBL7301505 0.87 PLAU (0.47) PLAUCYP1A2SOX18SLC13A5PDPK1
SCHEMBL2817046 0.84 TDP1 (0.47) FFAR1CA1CA2CA9HDAC1
SCHEMBL8670812 0.79 PLAU (0.59) PLAUCYP1A2SOX18SLC13A5PDPK1
Butane SCHEMBL248656 0.78 TDP1 (0.42) FFAR1CA1CA2CA9
SCHEMBL16825144 0.78 RAB9A (0.47) CYP1A2
SCHEMBL9849307 0.75 CYP19A1 (0.43) HDAC1
SCHEMBL7297200 0.75 KMT2A (0.46) FFAR1
SCHEMBL17061044 0.74 LMNA (0.53) FFAR1HDAC1HDAC8
Biphenyl SCHEMBL11546378 0.74 ESR1 (0.46) FFAR1HDAC8
SCHEMBL6240981 0.73 CYP1A2 (0.65) PLAUCYP1A2SOX18HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35886-E ENDOTHELIN-CONVERTING ENZYME INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-01 US disclosed
EP-0518299-B1 Phosphonic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-08 EP disclosed
EP-0518299-A2 Phosphonic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed