SCHEMBL9860436

SCHEMBL9860436

O=C(O)CCCCCCCCCCCCCCCCc1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
HDAC4 P56524 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HSD17B10 Q99714 1/20 0.53
TBXAS1 P24557 5/20 0.51
LTB4R Q15722 3/20 0.50

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
SCHEMBL2835656 1.00 MAPT (0.69) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL25575670 1.00 MAPT (0.69) MAPTRXFP1HDAC3MAPK1ADRA1A
Iocanlidic Acid SCHEMBL290025 1.00 MAPT (0.69) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL2197174 0.98 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
Iocanlidic Acid SCHEMBL27870026 0.93 MAPT (0.61) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL452845 0.92 SMN1; SMN2 (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL29256339 0.91 MAPT (0.58) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL6015502 0.90 MAPT (0.57) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL3814880 0.90 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL9671779 0.90 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021220-A Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent MALLINCKRODT, INC. (US) 1991-06-04 US disclosed
US-4942231-A CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM MALLINCKRODT, INC. (US) 1990-07-17 US disclosed
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed