SCHEMBL7922147

SCHEMBL7922147

C=C(C)C(=O)O[C@@H]1CCCC2C1CCC[C@H]2O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10064102 1.00 ALDH1A1 (0.32) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL5474562 0.95 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5467215 0.91 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL10064104 0.90 ALDH1A1 (0.32) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL5471111 0.88 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL10064089 0.86 ALDH1A1 (0.34) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL7028897 0.86 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL1906719 0.83 ALDH1A1 (0.34) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL5502908 0.82 GSR (0.40) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL10524835 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1POLBMAPT

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-6218569-B1 CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1057806-A1 POLYMERIZABLE ALICYCLIC ESTERS AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed