SCHEMBL28281682

SCHEMBL28281682

C=CCOC(=O)CCC[C@@H](C)N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG1 Q8N1C3 2/20 0.38
▸ GABRG3 Q99928 2/20 0.38

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
SCHEMBL12664705 0.88 TSHR (0.56) TSHRTDP1ALDH1A1GAACYP1A2
SCHEMBL28931215 0.86 TSHR (0.61) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL11878818 0.84 TSHR (0.59) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL18195547 0.83 TSHR (0.57) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL8650273 0.80 TSHR (0.58) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL10879118 0.80 CYP1A2 (0.61) TSHRTDP1ALDH1A1GAACYP1A2
SCHEMBL28550279 0.79 TSHR (0.67) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL29910307 0.79 TSHR (0.67) TSHRTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL463195 0.79 TSHR (0.70) TSHRTDP1ALDH1A1GAACYP1A2
SCHEMBL153651 0.79 TSHR (0.77) TSHRTDP1ALDH1A1GAACYP1A2

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
CN-109456437-A A kind of spiral copolymer conductive material and preparation method thereof 东南大学 2019-03-12 — — CN disclosed
Send feedback