SCHEMBL7966351

SCHEMBL7966351

CC1(C)OC(C(=O)O)C(C2CC2)N1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
ELANE P08246 3/20 0.41
F2 P00734 2/20 0.41
CTSG P08311 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7954944 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7971870 0.82 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7763589 0.82 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7468424 0.82 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7965605 0.81 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7955395 0.81 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25901442 0.78 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7970669 0.77 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7964140 0.77 ADORA2B (0.47) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7966304 0.77 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9AMEN1

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-6268381-B1 Taxane derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 2001-07-31 US disclosed
EP-1044971-A1 TAXANE DERIVATIVES Kabushiki Kaisha Yakult Honsha (JP) 2000-10-18 EP disclosed