SCHEMBL9788150

SCHEMBL9788150

Cc1ccc(OC2(Oc3ccc(C)cc3)OC(=O)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 9/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 5/20 0.44
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP3A4 P08684 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.42
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL28455989 0.86 NPSR1 (0.63) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL9506747 0.82 NPSR1 (0.58) NPSR1GAALMNACYP2C9CYP2C19
Naphthalene SCHEMBL28897828 0.82 NPSR1 (0.58) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL11498604 0.76 NPSR1 (0.51) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL675984 0.75 CFTR (0.48) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL30882673 0.75 CFTR (0.48) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL16406577 0.72 PDK2 (0.39) NPSR1GAALMNACYP3A4L3MBTL1
SCHEMBL822834 0.71 CFTR (0.73) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL9506732 0.71 SMN1; SMN2 (0.62) NPSR1GAALMNACYP2C9CYP2C19
SCHEMBL7850945 0.70 NPSR1 (0.50) NPSR1GAALMNACYP2C9CYP2C19

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-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed