SCHEMBL10344244

SCHEMBL10344244

O=C1c2ccccc2C(=O)N1CCCOC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 1/20 0.60
HDAC7 Q8WUI4 2/20 0.55
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL6274253 0.81 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2MAPTHDAC7TSHR
SCHEMBL5667427 0.81 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHDAC7TSHR
SCHEMBL18522763 0.80 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MAPTHDAC7CYP1A2
SCHEMBL10343975 0.80 MAPT (0.61) RAB9ASMN1; SMN2MAPTHDAC7CYP1A2
SCHEMBL12530833 0.80 MAPT (0.61) RAB9ASMN1; SMN2MAPTHDAC7CYP1A2
SCHEMBL2182918 0.79 TSHR (0.66) RAB9ASMN1; SMN2MAPTHDAC7TSHR
SCHEMBL17557089 0.78 TSHR (0.60) RAB9ASMN1; SMN2MAPTHDAC7TSHR
SCHEMBL10719302 0.77 RAB9A (0.67) RAB9ASMN1; SMN2MAPTCYP1A2CYP2D6
SCHEMBL17557085 0.77 TSHR (0.52) RAB9ASMN1; SMN2MAPTHDAC7TSHR
SCHEMBL1566399 0.76 TSHR (0.58) SMN1; SMN2HDAC7TSHRMAPK1CYP1A2

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-0191044-B1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-02-07 EP disclosed
US-4732998-A Bisphosphonic acids and esters LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 1988-03-22 US disclosed
EP-0191044-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1986-08-20 EP disclosed
WO-1986000902-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1986-02-13 WO disclosed