SCHEMBL25036229

SCHEMBL25036229

Cc1c(C(C)C)cc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ CASP1 P29466 4/20 0.47
▸ HIF1A Q16665 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PABPC1 P11940 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APEX1 P27695 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
SCHEMBL9847741 0.77 ALDH1A1 (0.59) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL24030622 0.74 HSD17B10 (0.50) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL12495243 0.70 PABPC1 (0.41) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL11020614 0.69 LMNA (0.42) TSHRHPGDHIF1AALDH1A1MAPT
SCHEMBL12179524 0.67 HKDC1 (0.62) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL23011800 0.67 IDO1 (0.41) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL22635004 0.66 PABPC1 (0.78) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL11694206 0.66 PABPC1 (0.42) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL1054279 0.66 CYP2A6 (0.43) TSHRMAPK1HSD17B10HPGDCASP1
SCHEMBL25825582 0.66 PABPC1 (0.42) TSHRMAPK1HSD17B10HPGDCASP1

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-20230047477-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 — — US disclosed
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