SCHEMBL10343522

SCHEMBL10343522

CC(C)(C)c1ccc(OC(Cl)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TYR P14679 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ APP P05067 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL10591101 0.79 NR1H4 (0.43) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL799946 0.79 NR1H4 (0.57) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL18287880 0.77 MAPT (0.47) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL8254927 0.77 TP53 (0.49) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL23067911 0.76 MAPT (0.50) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL14130869 0.76 MAPT (0.45) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL2546366 0.76 NR1H4 (0.46) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL14227022 0.76 MAPT (0.45) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL11836109 0.75 SMN1; SMN2 (0.45) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL21654186 0.74 MAPT (0.44) MAPTRAB9AALDH1A1MAPK1NPC1

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
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