SCHEMBL20008937

SCHEMBL20008937

CC(F)(F)COC(=O)c1ccc2cc(C(=O)OCCS(=O)(=O)O)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
DRD3 P35462 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STS P08842 7/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SERPINE1 P05121 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL11953044 0.81 HRH3 (0.54) HRH3DRD3RAB9ANPC1MAPT
SCHEMBL12376761 0.75 HRH3 (0.38) HRH3DRD3MAPTSMN1; SMN2TDP1
SCHEMBL27600533 0.75 TSHR (0.48) SMN1; SMN2TDP1STSALDH1A1
SCHEMBL18775995 0.74 STS (0.47) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL12376762 0.74 ELANE (0.42) HRH3DRD3TDP1STSKDM4E
SCHEMBL20908980 0.74 ALDH1A1 (0.43) RAB9AGAAMAPTSMN1; SMN2TDP1
SCHEMBL18776026 0.74 CES2 (0.46) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL18776004 0.74 CA1 (0.43) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL18786030 0.74 CES2 (0.46) RAB9ANPC1GAAMAPTTDP1
SCHEMBL10067103 0.73 HRH3 (0.56) HRH3DRD3RAB9ANPC1MAPT

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed