SCHEMBL7702007

SCHEMBL7702007

CC(O)(C1CCCCC1)C12CC3CC(CC(CO)(C3)C1)C2.CC(O)(C1CCCCC1)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7453804 0.93 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL7458003 0.92 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL7453579 0.89 PKM (0.37) ALDH1A1PKMHSD11B1
SCHEMBL7451308 0.88 PKM (0.38) ALDH1A1PKMHSD11B1
SCHEMBL7452763 0.86 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL7450709 0.82 PKM (0.40) ALDH1A1PKMHSD11B1
SCHEMBL7457170 0.74 SIGMAR1 (0.35)
SCHEMBL7459194 0.72 SIGMAR1 (0.33) ALDH1A1
SCHEMBL18788534 0.72 PKM (0.48) ALDH1A1LMNAPKMHSD11B1
SCHEMBL18788533 0.72 PKM (0.48) ALDH1A1LMNAPKMHSD11B1

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-6344590-B1 HYDROCARBON BONDED TO A CARBON ATOM WHICH IS BONDED TO A HYDROXYL GROUP, A METHANE GROUP, AND AN ADAMANTANE RING; OR ITS PROTECTED DERIVATIVES; ALCOHOL INTERMEDIATES FOR ACRYLIC ESTER MONOMERS FOR HYDROPHILIC, ADHESIVE PHOTORESISTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed