SCHEMBL6745679

SCHEMBL6745679

O=C(O)Oc1ccccc1CCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.55
PTGER4 P35408 1/20 0.55
PTGER3 P43115 1/20 0.55
PTGER2 P43116 1/20 0.55
BID P55957 1/20 0.50
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
BAK1 Q16611 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6036804 0.89 HTR1A (0.58) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL28552241 0.86 THRA (0.49) PTGER1PTGER4PTGER3PTGER2BID
SCHEMBL6006352 0.85 HTR1A (0.46) PTGER1PTGER4PTGER3PTGER2THRA
SCHEMBL981970 0.85 THRA (0.67) BIDBCL2L1MCL1BAK1THRA
SCHEMBL9299287 0.84 HPGD (0.52) PTGER1PTGER4PTGER3PTGER2BID
SCHEMBL21681728 0.83 THRA (0.69) BIDBCL2L1MCL1BAK1THRA
SCHEMBL980272 0.83 THRA (0.69) BIDBCL2L1MCL1BAK1THRA
SCHEMBL5682830 0.83 THRA (0.69) BIDBCL2L1MCL1BAK1THRA
SCHEMBL1836583 0.83 THRA (0.69) BIDBCL2L1MCL1BAK1THRA
SCHEMBL28511442 0.83 THRA (0.69) BIDBCL2L1MCL1BAK1THRA

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
US-6762250-B2 TRANSPARENCY, FLUIDITY; CONTAINING POLYSILOXANE HAVING AT LEAST AROMATIC HYDROCARBON FUNCTIONALITY, CARBOXYLIC ACID ESTER AND/OR ETHER LINKAGES AND PHOSPHORIC ESTER GROUP ATTACHMENT MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-07-13 US disclosed
US-20040054116-A1 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION 2004-03-18 US disclosed