SCHEMBL7746087

SCHEMBL7746087

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](C3CCC(CCC(=O)OC)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.34
KLK7 P49862 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7746092 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCASP1KLK7
SCHEMBL7746090 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCASP1KLK7
SCHEMBL8359776 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCASP1KLK7
SCHEMBL7747291 0.86 TSHR (0.38) ALDH1A1TSHRKLK7MEN1KMT2A
SCHEMBL7747301 0.86 TSHR (0.38) ALDH1A1TSHRKLK7MEN1KMT2A
SCHEMBL7747296 0.86 TSHR (0.38) ALDH1A1TSHRKLK7MEN1KMT2A
SCHEMBL3478095 0.85 ALDH1A1 (0.39) ALDH1A1TSHRCASP1KLK7MEN1
SCHEMBL698490 0.81
SCHEMBL8561323 0.80 TSHR (0.41) ALDH1A1TSHRKLK7MEN1KMT2A
Hydrochloric Acid SCHEMBL14167163 0.79 TSHR (0.52) ALDH1A1LMNATSHRKLK7MEN1

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
EP-0891314-B1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-05 EP disclosed
US-6180027-B1 DISPLAY DEVICE CHISSO CORPORATION (JP) 2001-01-30 US disclosed