SCHEMBL10447066

SCHEMBL10447066

COc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CCCc3ccccc3C2)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ UBE2M P61081 5/20 0.41
▸ DCUN1D1 Q96GG9 5/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ PIN1 Q13526 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
SCHEMBL10446424 0.92 RAB9A (0.46) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446758 0.87 TAS1R3 (0.43) RAB9AKMT2AMEN1ATMSMN1; SMN2
SCHEMBL10446687 0.87 UBE2M (0.48) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446682 0.87 PPARG (0.44) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10447157 0.85 NPSR1 (0.48) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446861 0.85 PPARG (0.43) PPARGPPARDPPARARAB9AKMT2A
SCHEMBL10447146 0.84 PIN1 (0.46) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446599 0.84 MEN1 (0.44) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446830 0.83 MEN1 (0.52) PPARGPPARDPPARARAB9AUBE2M
SCHEMBL10446628 0.81 UBE2M (0.49) PPARGPPARDPPARARAB9AUBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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