SCHEMBL6942653

SCHEMBL6942653

Cc1cc2c(cc1C)C(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=CC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
RXRB P28702 3/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RXRA P19793 2/20 0.32
RXRG P48443 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL18763979 0.76 NPC1 (0.36) RXRBKDM4EGAAMAPTGABRA1
SCHEMBL4572745 0.65 GABRA1 (0.58) POLBRXRBKDM4EGAAMAPT
SCHEMBL6940199 0.64 RXRB (0.33) POLBRXRBKDM4EGAAMAPT
SCHEMBL16117991 0.63 CD44 (0.32) POLB
SCHEMBL26230931 0.62 GABRA1 (0.55) POLBRXRBKDM4EGAAMAPT
SCHEMBL30143246 0.62 S1PR1 (0.38) KDM4EHTR1D
SCHEMBL18763972 0.62 S1PR1 (0.38) KDM4EHTR1D
SCHEMBL93161 0.62 GABRA1 (0.69) POLBRXRBKDM4EGAAMAPT
SCHEMBL30083766 0.59 POLB (0.43) POLBRXRBKDM4EGAAMAPT
SCHEMBL10415675 0.59 GABRA1 (0.65) POLBRXRBKDM4EGAAMAPT

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-1157047-B1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORP NORTH AMERICA INC (US) 2003-04-23 EP disclosed
US-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 US disclosed