SCHEMBL8339905

SCHEMBL8339905

COc1cc(F)ccc1-c1cc(O)cc(C)c1C(=O)c1csc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
PIN1 Q13526 2/20 0.41
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL8340660 0.81 MAPT (0.45) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8336438 0.80 CNR2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339909 0.79 CNR2 (0.45) PIN1MAPTKDM4EMEN1CYP1A2
SCHEMBL8333998 0.78 CNR2 (0.41) PIN1MAPTMEN1CYP1A2CYP2C19
SCHEMBL8340604 0.78 MAPT (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339556 0.74 MAPT (0.38) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8339826 0.74 KDM4E (0.42) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8637426 0.73 MAPT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8338716 0.73 HTR1A (0.40) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8340813 0.72 TUBB4A (0.40) HTR1ATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed