SCHEMBL10694633

SCHEMBL10694633

CCCCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR1 Q92633 3/20 0.32
LPAR2 Q9HBW0 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR6 P43657 2/20 0.32
LPAR4 Q99677 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
DNM1 Q05193 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 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
SCHEMBL15375 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL11134271 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL15826 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL548999 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL1900360 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL11133571 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL1901968 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL1900015 1.00 TDP1 (0.42) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL27982418 0.98 TDP1 (0.41) TDP1USP2TSHRALDH1A1CNR1
SCHEMBL4220322 0.96 TDP1 (0.44) TDP1USP2TSHRALDH1A1CNR1

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-4766234-A OLEOPHOBIC, HYDROPHOBIC TEXTILE FINISH HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-23 US disclosed
US-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed