SCHEMBL10340563

SCHEMBL10340563

CCOC(=O)c1cnn(-c2cccc(C)c2)c1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 8/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.53
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL19103511 0.88 HTT (0.61) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL13766911 0.88 HTT (0.58) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL798337 0.87 ALDH1A1 (0.73) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL10340550 0.86 HTT (0.65) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL11128807 0.86 HTT (0.80) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL31117178 0.86 HTT (0.80) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL27273816 0.85 HTT (0.58) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL10340687 0.84 HTT (0.57) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL6052432 0.79 ALDH1A1 (0.59) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL23400827 0.78 NPC1 (0.50) HTTALDH1A1HPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177242-B1 POLLEN FORMATION INHIBITING PYRAZOLES ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4775409-A PREVENTING POLLEN FORMATION ELI LILLY AND COMPANY (US) 1988-10-04 US disclosed
US-4666504-A HYBRIDS ELI LILLY AND COMPANY (US) 1987-05-19 US disclosed
EP-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 EP disclosed