SCHEMBL8608573

SCHEMBL8608573

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OC(=O)CC/C(=N/O)OC(=O)c2ccc([Sn](CCCC)(CCCC)CCCC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
ESR1 P03372 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4D Q08499 1/20 0.33
STS P08842 8/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MGLL Q99685 1/20 0.31
HPGD P15428 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
SCHEMBL8928034 0.87 SMN1; SMN2 (0.32) CYP1A2CYP2C19SMN1; SMN2CYP2C9RAB9A
SCHEMBL9753847 0.82 LMNA (0.35) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL16670075 0.74 RAB9A (0.40) LMNACYP1A2MAPK1SMN1; SMN2RAB9A
SCHEMBL8581687 0.74 PTPN2 (0.36)
SCHEMBL5952565 0.74 NPC1 (0.50) TSHRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2356948 0.74 PRSS1 (0.42) LMNATSHRCYP2C19MAPK1RAB9A
SCHEMBL1454369 0.73 CA1 (0.54) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL16553458 0.72 ALDH1A1 (0.46) RAB9AMAPTNPC1ALDH1A1
SCHEMBL6027320 0.72 ELANE (0.44) LMNASTSRAB9AMAPTALDH1A1
SCHEMBL3111477 0.72 CA1 (0.41) LMNARAB9AMAPTGAA

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-5746997-A Radiohalogenation of oligonucleotides via trialkylstannylaryl conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-05-05 US claimed
US-5746997-A Radiohalogenation of oligonucleotides via trialkylstannylaryl conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-05-05 US disclosed