SCHEMBL9766873

SCHEMBL9766873

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRYAB P02511 5/20 0.58
▸ CRYAA P02489 1/20 0.58
▸ USP2 O75604 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PTGES O14684 2/20 0.51
▸ HMGCR P04035 3/20 0.47

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
SCHEMBL9766870 1.00 CRYAB (0.58) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL9766822 0.92 CRYAB (0.57) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL9766824 0.92 CRYAB (0.57) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL9766800 0.89 CRYAB (0.54) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL9766804 0.89 CRYAB (0.54) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL15123748 0.89 CRYAB (0.61) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL13499193 0.89 CRYAB (0.61) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL3231652 0.89 CRYAB (0.61) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL26641675 0.89 CRYAB (0.61) CRYABCRYAAUSP2ALDH1A1CYP3A4
SCHEMBL9766812 0.88 MAPT (0.49) CRYABCRYAAUSP2ALDH1A1CYP3A4

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-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US claimed
US-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US disclosed
Send feedback