SCHEMBL9302688

SCHEMBL9302688

[CH2]CC(OCCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
DNM1 Q05193 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30
CA9 Q16790 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
SCHEMBL27503005 0.95 ADRB2 (0.35) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL27605108 0.93 DNM1 (0.33) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL26144 0.90 DNM1 (0.48) DNM1CA1CA2TSHRHPGD
SCHEMBL391506 0.90 DNM1 (0.48) DNM1CA1CA2TSHRHPGD
SCHEMBL887114 0.90 DNM1 (0.48) DNM1CA1CA2TSHRHPGD
SCHEMBL931394 0.90 DNM1 (0.48) DNM1CA1CA2TSHRHPGD
SCHEMBL246013 0.90 DNM1 (0.48) DNM1CA1CA2TSHRHPGD
SCHEMBL27948562 0.89 TSHR (0.41) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL28795866 0.86 DNM1 (0.45) DNM1CA1CA2TSHRHPGD
SCHEMBL27515670 0.86 DNM1 (0.45) DNM1CA1CA2TSHRHPGD

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
CN-105531324-B Curable composition, cured product, and method for using curable composition 琳得科株式会社 2018-09-21 CN disclosed
CN-104302644-A Thiazolecarboxamide derivatives and methods of use thereof NIHON NOHYAKU CO LTD 2015-01-21 CN disclosed
US-5279967-A Using fluorophore label NALCO CHEMICAL COMPANY (US) 1994-01-18 US disclosed