SCHEMBL10048520

SCHEMBL10048520

CC1=CCC(c2ccc(C(=O)C3=CCC(c4ccc(C)cc4)C=C3)cc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
SRD5A2 P31213 2/20 0.36
RIPK1 Q13546 1/20 0.34
PDE5A O76074 1/20 0.33
HPGD P15428 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AKR1C3 P42330 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.31
THRB P10828 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 2/20 0.30
ATM Q13315 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
NLRP1 Q9C000 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13575296 0.78 RXRA (0.47) ALDH1A1SRD5A2PDE5AHPGDSMN1; SMN2
SCHEMBL13962632 0.77 ALDH1A1 (0.47) ALDH1A1LMNASRD5A2HPGDCES2
SCHEMBL12962949 0.75 ALDH1A1 (0.46) ALDH1A1LMNASRD5A2HPGDCES2
SCHEMBL14456579 0.74 LMNA (0.31) LMNA
SCHEMBL6277324 0.71 CYP2C9 (0.37) ALDH1A1MAPTKMT2ATDP1CA1
SCHEMBL14201547 0.70 RET (0.32)
SCHEMBL18664681 0.69 CYP2A6 (0.39) ALDH1A1
SCHEMBL13522670 0.69 HTT (0.43) ALDH1A1LMNASRD5A2HPGDCES2
SCHEMBL13893312 0.68 CYP2A6 (0.41) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL6900523 0.68 ACHE (0.34) MAPTTDP1

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
WO-2012084940-A1 USE OF OLIGOMERS AS COMPATIBILIZERS FOR INORGANIC PARTICLES AND COMPOSITIONS CONTAINING COMPATIBILIZER, INORGANIC PARTICLES AND POLYMER SOLVAY SA (BE) 2012-06-28 WO disclosed