SCHEMBL21160747

SCHEMBL21160747

C=CS(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PSIP1 O75475 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL19069989 0.86 TDP1 (0.37) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL22840022 0.79 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
SCHEMBL20999268 0.75 — —
SCHEMBL22048805 0.73 HTT (0.57) TSHRSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL18520501 0.73 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
SCHEMBL24380205 0.72 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
SCHEMBL2817988 0.72 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
SCHEMBL22269170 0.72 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
Propene SCHEMBL436529 0.69 TSHR (0.73) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1
SCHEMBL22540799 0.69 PSIP1 (0.48) TSHRSMN1; SMN2ALDH1A1HTR6PSIP1

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-20200220222-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2020-07-09 — — US disclosed
US-10329485-B2 Liquid crystal device LG CHEM, LTD. (KR) 2019-06-25 — — US disclosed
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