SCHEMBL10972221

SCHEMBL10972221

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TYR P14679 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL6584398 0.83 ALOX15 (0.51) ALDH1A1LMNAALOX15HSD17B10TYR
SCHEMBL9513810 0.83 ALOX15 (0.51) ALDH1A1LMNAALOX15HSD17B10TYR
SCHEMBL27535126 0.83 ALOX15 (0.51) ALDH1A1LMNAALOX15HSD17B10TYR
SCHEMBL19720241 0.81 EGFR (0.38) ALDH1A1LMNAALOX15HSD17B10TYR
SCHEMBL27607478 0.79 RXRA (0.38) ALDH1A1LMNAALOX15HSD17B10SLC7A5
SCHEMBL7464405 0.77 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL630703 0.77 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL594571 0.77 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL23544355 0.77 SLC7A5 (0.38) LMNANR1I2SLC7A5BLMKMT2A
SCHEMBL29286178 0.77 SLC7A5 (0.38) LMNANR1I2SLC7A5BLMKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048763-B1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 — — EP disclosed
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
EP-0048763-A1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 — — EP disclosed
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