SCHEMBL9753847

SCHEMBL9753847

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
TSHR P16473 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
ESR1 P03372 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B3 P37058 7/20 0.31

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
SCHEMBL5051468 0.85 SMN1; SMN2 (0.33) LMNACYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL8608573 0.82 LMNA (0.33) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL5983433 0.81 GAA (0.31) ESR1MAPTGAA
SCHEMBL6307975 0.76 MAPT (0.40) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL5952565 0.76 NPC1 (0.50) TSHRSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1454369 0.75 CA1 (0.54) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL10589588 0.74 TSHR (0.41) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL17907572 0.73 NPC1 (0.42) LMNACYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL8948561 0.73 TPMT (0.38) GAA
SCHEMBL9601827 0.73 MMP1 (0.44) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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
US-5057301-A MODIFIED CELLULAR SUBSTRATES USED AS LINKERS FOR INCREASED CELL RETENTION OF DIAGNOSTIC AND THERAPEUTIC AGENTS NEORX CORPORATION (US) 1991-10-15 US disclosed
WO-1991009626-A1 PROCESS FOR ISOLATION AND RADIOLABELING OF PHARMACEUTICALS WITH ISOTOPES OF ASTATINE NEORX CORPORATION (US) 1991-07-11 WO disclosed
EP-0336364-A2 Modified cellular substrates used as linkers for increased cell retention of diagnostic and therapeutic agents NEORX CORPORATION (US) 1989-10-11 EP disclosed