SCHEMBL10446861

SCHEMBL10446861

COc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CCCCc3ccccc32)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ P2RX3 P56373 2/20 0.40
▸ P2RX2 Q9UBL9 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10446758 0.97 TAS1R3 (0.43) PIN1KMT2ARAB9AMEN1ATM
SCHEMBL10447146 0.94 PIN1 (0.46) PPARGPPARDPPARAPIN1KMT2A
SCHEMBL10446652 0.88 P2RX3 (0.47) PPARGPPARDPPARARAB9ATAS1R3
SCHEMBL10447066 0.85 PPARG (0.43) PPARGPPARDPPARAPIN1KMT2A
SCHEMBL10446671 0.85 P2RX3 (0.49) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL10446424 0.83 RAB9A (0.46) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL10447172 0.83 RAB9A (0.41) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL10446801 0.81 RAB9A (0.46) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL10446599 0.77 MEN1 (0.44) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL10447157 0.76 NPSR1 (0.48) PPARGPPARDPPARAKMT2ARAB9A

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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