SCHEMBL10446788

SCHEMBL10446788

Cc1ccc(C)c(CN(C(=O)Nc2ccc(F)cc2F)C2CCCc3ccccc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 3/20 0.44
▸ DCUN1D1 Q96GG9 3/20 0.44
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL10446781 0.92 UBE2M (0.47) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446688 0.86 PPARG (0.41) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446687 0.85 UBE2M (0.48) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447008 0.85 UBE2M (0.46) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446779 0.84 PKM (0.46) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446676 0.81 HTT (0.43) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446682 0.80 PPARG (0.44) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447066 0.80 PPARG (0.43) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446762 0.80 UBE2M (0.52) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447090 0.80 HTT (0.45) UBE2MDCUN1D1PPARGPPARDPPARA

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 2 patents. 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 claimed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
Send feedback