SCHEMBL7619853

SCHEMBL7619853

CCCCc1ccc(OC(=O)Oc2ccccc2C(=O)OC)c(CCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 3/20 0.43
▸ HSP90AA1 P07900 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL5705999 0.88 SLC6A3 (0.51) SLC6A3KMT2AHTTMAPTHPGD
SCHEMBL5706004 0.84 PTGS2 (0.52) SLC6A3KMT2AHTTMAPTHPGD
SCHEMBL7616075 0.84 MTNR1A (0.45) SLC6A3KMT2AHTTPPARGPPARA
SCHEMBL8500732 0.83 SLC6A3 (0.47) SLC6A3KMT2AHTTMAPTHSP90AA1
SCHEMBL5706036 0.83 THRA (0.57) SLC6A3KMT2AHTTHPGDKDM4E
SCHEMBL5706111 0.83 THRA (0.57) SLC6A3KMT2AHTTHPGDKDM4E
SCHEMBL5705970 0.83 THRA (0.57) SLC6A3KMT2AHTTHPGDKDM4E
SCHEMBL5706017 0.83 THRA (0.57) SLC6A3KMT2AHTTHPGDKDM4E
SCHEMBL9663130 0.81 HTT (0.49) KMT2AHTTMAPTNPSR1KDM4E
SCHEMBL5706129 0.81 SLC6A3 (0.47) SLC6A3KMT2AHTTMAPTHSP90AA1

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-6423813-B1 FROM PHENOLIC COMPOUNDS TEIJIN LIMITED (JP) 2002-07-23 — — US disclosed
EP-1179556-A1 BRANCHED AROMATIC POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND BLOW-MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-02-13 — — EP disclosed
Send feedback