SCHEMBL6576663

SCHEMBL6576663

Cc1ccccc1[CH]c1ccccc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TBXA2R P21731 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGDR Q13258 1/20 0.44
HTR2A P28223 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL10598872 0.85 TBXA2R (0.48) TSHRALDH1A1TBXA2RPTGER3PTGER2
SCHEMBL28319707 0.79 ALDH1A1 (0.55) TSHRALDH1A1TBXA2RPTGER3PTGER2
SCHEMBL2037821 0.78 ALDH1A1 (0.62) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL405627 0.78 CALM1 (0.46) TSHRTBXA2RPTGER3PTGER2PTGDR
SCHEMBL275838 0.77 CALM1 (0.55) TSHRALDH1A1HTR2ACALM1CYP3A4
SCHEMBL9741301 0.77 CALM1 (0.55) TSHRALDH1A1HTR2ACALM1CYP3A4
SCHEMBL29940610 0.77 CALM1 (0.55) TSHRALDH1A1HTR2ACALM1CYP3A4
SCHEMBL5214340 0.76 CALM1 (0.44) TSHRTBXA2RPTGER3PTGER2PTGDR
SCHEMBL31588310 0.75 LMNA (0.52) TSHRALDH1A1TBXA2RPTGER3PTGER2
SCHEMBL872046 0.75 LMNA (0.52) TSHRALDH1A1TBXA2RPTGER3PTGER2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289920-B1 METHOD FOR THE PRODUCTION OF ACROLEIN OR ACRYLIC ACID OR THE MIXTURE THEREOF FROM PROPANE BASF AG (DE) 2004-09-15 EP disclosed
EP-1404632-A1 METHOD FOR PRODUCING METHACRYLIC ACID FROM ISOBUTANE BASF AKTIENGESELLSCHAFT (DE) 2004-04-07 EP disclosed
WO-2003002493-A1 METHOD FOR PRODUCING METHACRYLIC ACID FROM ISOBUTANE BASF AKTIENGESELLSCHAFT (DE) 2003-01-09 WO disclosed