SCHEMBL9487014

SCHEMBL9487014

CCCCC(Cc1ccc(F)cc1)C(O)c1cccnc1.O=C(O)c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.40
ADRB1 P08588 4/20 0.40
GRIK1 P39086 2/20 0.39
MME P08473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP51A1 Q16850 1/20 0.35

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
SCHEMBL9485916 0.84 POLB (0.41) ADRB3ADRB1SMN1; SMN2POLBCYP51A1
SCHEMBL9487020 0.84 RAB9A (0.39) ADRB3ADRB1MMEALDH1A1CNR1
SCHEMBL9485964 0.82 CNR1 (0.37) MMECNR1CNR2SMN1; SMN2HTT
SCHEMBL9502152 0.75 SMN1; SMN2 (0.39) ADRB3ADRB1SMN1; SMN2RAB9ACYP51A1
SCHEMBL9485972 0.72 CYP19A1 (0.36) MMECNR1CNR2SMN1; SMN2HTT
SCHEMBL9502121 0.72 KIF11 (0.39) ALDH1A1SMN1; SMN2HTTRAB9ALMNA
SCHEMBL10766264 0.70 SLC6A4 (0.47) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL9772064 0.65 SLC6A4 (0.49) KDM4EALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL11123644 0.65 CYP3A4 (0.41) CNR1SMN1; SMN2POLB
SCHEMBL9729505 0.65 KMT2A (0.47) ALDH1A1HTTRAB9AMEN1KMT2A

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
US-5192767-A Nonphytotoxic BASF AKTIENGESELLSCHAFT (DE) 1993-03-09 US disclosed