SCHEMBL7468424

SCHEMBL7468424

CC1(C)OC(C(=O)O)C(c2ccccc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
P2RX4 Q99571 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.38
PDE1C Q14123 2/20 0.38
HTT P42858 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL7763589 1.00 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9AFABP7
SCHEMBL7970669 0.92 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9AFABP7
SCHEMBL7964845 0.89 ADORA2B (0.48) HTR2CSMN1; SMN2NPC1RAB9AFABP7
SCHEMBL7964140 0.85 ADORA2B (0.47) HTR2CSMN1; SMN2NPC1RAB9AP2RX4
SCHEMBL7966304 0.85 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9AP2RX4
SCHEMBL2361551 0.83 MDM2 (0.34) HTR2CFABP7ALDH1A1
SCHEMBL7971870 0.83 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9AP2RX4
SCHEMBL7965605 0.82 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9AP2RX4
SCHEMBL7966351 0.82 HTR2C (0.49) HTR2CSMN1; SMN2NPC1RAB9AP2RX4
SCHEMBL7955395 0.82 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9AFABP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022277-B1 NEW TAXANE DERIVATIVES YAKULT HONSHA KK (JP) 2002-12-04 EP disclosed
US-6136808-A ANTITUMOR AGENTS FROM PLANTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-10-24 US disclosed
EP-1022277-A1 NEW TAXANE DERIVATIVES Kabushiki Kaisha Yakult Honsha (JP) 2000-07-26 EP disclosed
US-6025385-A HIGH SOLUBILITY IN WATER AND ALSO HAS EXCELLENT ANTITUMOR ACTIVITIES. KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-02-15 US disclosed
EP-0930309-A1 TAXANE DERIVATIVES AND DRUGS CONTAINING THE SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1999-07-21 EP disclosed