SCHEMBL11064045

SCHEMBL11064045

C=CCO[Ti](OCCCC)(OCCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 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
SCHEMBL9779569 0.81 TSHR (0.36) TSHRALDH1A1HPGDMEN1POLB
SCHEMBL35668 0.81 ADRB2 (0.45) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL6448719 0.78 ADRB2 (0.43) TSHRALDH1A1HPGDADRB2ADRB1
Hydrochloric Acid SCHEMBL31482751 0.78 ADRB2 (0.43) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL1538446 0.78 ADRB2 (0.43) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL37127 0.78
SCHEMBL9147450 0.76 ADRB2 (0.41) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL9147120 0.76 ADRB2 (0.41) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL9149058 0.76 ADRB2 (0.41) TSHRALDH1A1HPGDADRB2ADRB1
SCHEMBL18696055 0.76 TSHR (0.38) TSHRALDH1A1HPGDADRB2ADRB1

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-4490526-A ORGANOSILANE MODIFIERS DYNAMIT NOBEL AG (DE) 1984-12-25 US disclosed