SCHEMBL11528223

SCHEMBL11528223

CCCOC(=O)CC1=CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MIF P14174 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31

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
SCHEMBL11526931 0.88 SMN1; SMN2 (0.35) ALDH1A1HSD17B10TDP1
SCHEMBL11528138 0.81 HSP90AB1 (0.36) ALDH1A1
SCHEMBL11528557 0.77 NLRP3 (0.41) ALDH1A1
SCHEMBL11525930 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11525401 0.74 NLRP3 (0.39) HPGDTDP1
SCHEMBL15498455 0.73 MCL1 (0.30)
SCHEMBL11529143 0.72 NLRP3 (0.45) ALDH1A1LMNATSHR
SCHEMBL11529785 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL18872204 0.66
SCHEMBL11529682 0.66 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNAESR1

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
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed