SCHEMBL27619977

SCHEMBL27619977

CCC(=O)OCC(C)n1ccc2cc(I)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.32
ALOX15 P16050 1/20 0.32
KRAS P01116 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31

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
SCHEMBL27620262 0.86 GAA (0.35) ALOX15MTNR1AMTNR1BTUBB4ATUBB
SCHEMBL3688516 0.78 TSHR (0.37) DPP7KRASTP53CYP1A2CYP2C19
SCHEMBL27620024 0.78 SRD5A2 (0.48)
SCHEMBL27620013 0.74 MTNR1A (0.45) KRASMTNR1AMTNR1BTUBB4ATUBB
SCHEMBL10412462 0.72 BRD4 (0.39) ALDH1A1CYP2C19
SCHEMBL27658305 0.72 NTSR1 (0.42) TP53ALDH1A1HPGD
SCHEMBL21244778 0.71 BRD4 (0.36)
SCHEMBL10323395 0.69 LPO (0.43) KRASTUBB1TP53ALDH1A1CYP1A2
SCHEMBL27658178 0.68 MEN1 (0.42) KRASTP53ALDH1A1
SCHEMBL27931094 0.68 CYP11B1 (0.54) KRASMTNR1AMTNR1BTUBB1

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
CN-1751037-A Sulfonamide derivatives as PPAR modulators LILLY CO ELI (US) 2006-03-22 CN disclosed