SCHEMBL9359552

SCHEMBL9359552

CCC[C@H]1CC[C@H](C2CCCCC2)CC1.CCOc1ccc(OC(=O)O)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.37
PPARG P37231 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL7910505 0.83 HPGD (0.42) HPGDKMT2AMEN1LMNACYP2C9
SCHEMBL6520754 0.83 HPGD (0.45) HPGDKMT2ALMNACYP2C9ALDH1A1
SCHEMBL6517546 0.83 HPGD (0.45) HPGDKMT2ALMNACYP2C9ALDH1A1
SCHEMBL7910499 0.83 HPGD (0.42) HPGDKMT2AMEN1LMNACYP2C9
SCHEMBL6520750 0.83 HPGD (0.45) HPGDKMT2ALMNACYP2C9ALDH1A1
SCHEMBL7910502 0.83 HPGD (0.42) HPGDKMT2AMEN1LMNACYP2C9
SCHEMBL10588068 0.83 PPARG (0.36) HPGDPPARGPTGESALOX5
SCHEMBL10589263 0.80 KLK7 (0.38) HPGDPPARGKMT2ACYP2C9POLB
SCHEMBL7907306 0.79 HPGD (0.44) HPGDKMT2AMEN1LMNACYP2C9
SCHEMBL21609892 0.79 HPGD (0.47) HPGDKMT2AMEN1LMNAAPOBEC3G

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
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
EP-0332005-A1 Supertwist liquid-crystal display MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed