SCHEMBL5887681

SCHEMBL5887681

COc1ccc(C2=C(c3ccc(C)cc3)C=CC[CH]2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
EP300 Q09472 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
MAPT P10636 3/20 0.34
ACACA Q13085 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL6047631 0.90 IDO1 (0.40) IDO1EP300KAT8LMNAIMPDH2
SCHEMBL13241151 0.77 IDO1 (0.50) IDO1EP300KAT8TNKSTNKS2
SCHEMBL5887049 0.77 ENPP1 (0.33)
SCHEMBL12333996 0.76 IDO1 (0.48) IDO1EP300KAT8TNKSTNKS2
SCHEMBL6047581 0.75 ACHE (0.50) MAPT
SCHEMBL5887363 0.73 KDM4E (0.35) TNKSTNKS2TP53MAPTPARP1
SCHEMBL5887562 0.71 GPR84 (0.36) TNKSTNKS2MAPTGAAPARP1
SCHEMBL6047623 0.69 ALDH1A1 (0.47) LMNAMAPTACACA
SCHEMBL4807799 0.69 TDP1 (0.35) ALOX15HSD17B10
SCHEMBL7753164 0.68 IDO1 (0.64) IDO1EP300KAT8LMNAIMPDH2

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed