SCHEMBL31068664

SCHEMBL31068664

CCOc1c(C(=O)O)ccc(C(=O)O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL15312290 0.89 HSD17B10 (0.40) HSD17B10TSHRMRGPRX4SMN1; SMN2MEN1
SCHEMBL2540541 0.88 KDM4E (0.47) HSD17B10TSHRMRGPRX4MEN1KMT2A
SCHEMBL5159925 0.88 HSD17B10 (0.39) HSD17B10TSHRSMN1; SMN2MEN1RAB9A
SCHEMBL17560293 0.86 HSD17B10 (0.49) HSD17B10TSHRSMN1; SMN2MEN1RAB9A
SCHEMBL27858196 0.86 TSHR (0.48) HSD17B10TSHRSMN1; SMN2MEN1RAB9A
SCHEMBL25432945 0.84 GAA (0.38) HSD17B10MRGPRX4SMN1; SMN2RAB9AKMT2A
SCHEMBL25396348 0.84 HSD17B10 (0.39) HSD17B10TSHRSMN1; SMN2MEN1RAB9A
Hydrochloric Acid SCHEMBL2200718 0.84 TSHR (0.47) HSD17B10TSHRSMN1; SMN2MEN1RAB9A
Hydrochloric Acid SCHEMBL6437034 0.81 TDP1 (0.47) HSD17B10ALDH1A1MAPTGABRPGABRD
SCHEMBL6712302 0.80 POLB (0.36) HSD17B10TSHRMRGPRX4SMN1; SMN2MEN1

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-118510827-A Method for preparing polyester resin by using regenerated bis (2-hydroxyethyl) terephthalate aqueous solution SK化学公司 2024-08-16 CN disclosed