SCHEMBL7629059

SCHEMBL7629059

CCc1c2ccccc2c(CC)c2c1ccc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HPRT1 P00492 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP2A6 P11509 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ NCEH1 Q6PIU2 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PMP22 Q01453 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
SCHEMBL9893591 0.88 HSD17B10 (0.47) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9893546 0.79 TSHR (0.56) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL3731188 0.78 TP53 (0.41) TSHRMAPK1HPGDALDH1A1TDP1
SCHEMBL2317562 0.78 TP53 (0.45) HSD17B10TSHRMAPK1L3MBTL1HPGD
SCHEMBL29853674 0.78 TP53 (0.45) HSD17B10TSHRMAPK1L3MBTL1HPGD
SCHEMBL5665402 0.77 ALDH1A1 (0.54) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL19009447 0.76 L3MBTL1 (0.47) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL4646487 0.76 HSD17B10 (0.43) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL19009444 0.74 TYMS (0.47) HSD17B10TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL15412100 0.74 TSHR (0.41) HSD17B10TSHRCYP3A4MAPK1L3MBTL1

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-6451341-B1 ADMINISTERING TO ANIMAL DIETARY SUPPLEMENT COMPRISING BUTYLATED HYDROXYTOLUENE(BHT), BUTYLATED HYDROXYANISOLE(BHA), VITAMIN E, AND B-CAROTENE TO PREVENT SKIN CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-17 — — US disclosed
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