SCHEMBL11308968

SCHEMBL11308968

CCCCCCCCCCCCCCCCCCc1c(C)c(C(=O)O)c([N+](=O)[O-])c(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ BID P55957 3/20 0.40
▸ MCL1 Q07820 3/20 0.40
▸ KAT8 Q9H7Z6 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ BCL2L1 Q07817 2/20 0.40
▸ BAK1 Q16611 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ EP300 Q09472 2/20 0.40
▸ KAT5 Q92993 2/20 0.40
▸ KAT2A Q92830 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ GPR35 Q9HC97 5/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ RARB P10826 1/20 0.36

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
SCHEMBL5590598 0.81 BID (0.40) PLK1PLK3BIDMCL1KAT8
SCHEMBL5590331 0.81 BID (0.40) PLK1PLK3BIDMCL1KAT8
SCHEMBL5586831 0.81 BID (0.40) PLK1PLK3BIDMCL1KAT8
SCHEMBL5590110 0.81 BID (0.40) PLK1PLK3BIDMCL1KAT8
SCHEMBL5586566 0.81 BID (0.40) PLK1PLK3BIDMCL1KAT8
SCHEMBL11308971 0.80 PLA2G2A (0.42) RARB
SCHEMBL5589439 0.79 LDHA (0.41) PLK1PLK3BIDMCL1KAT8
SCHEMBL11319111 0.79 TXNRD1 (0.39) PLK1PLK3
SCHEMBL14989301 0.75 BID (0.51) BIDMCL1KAT8PPARABCL2L1
SCHEMBL19406558 0.75 BID (0.51) BIDMCL1KAT8PPARABCL2L1

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-4278598-A AZO DYES EASTMAN KODAK COMPANY (US) 1981-07-14 — — US disclosed
US-4199354-A BALLASTED IMAGE-DYE PROVIDING MATERIALS EASTMAN KODAK COMPANY (US) 1980-04-22 — — US disclosed
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