SCHEMBL4829147

SCHEMBL4829147

Cc1c[n+](C)ccc1C=O.Cc1cc(C=O)cc[n+]1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.44
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAB9A P51151 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL29915716 0.82 CYP2A6 (0.39) ALDH1A1TSHRKDM4ERAB9AHDAC8
SCHEMBL29915724 0.82 CHAT (0.55) CHATALDH1A1TSHRKDM4EAPOBEC3A
SCHEMBL1426676 0.82 CHAT (0.55) CHATALDH1A1TSHRKDM4EAPOBEC3A
SCHEMBL1426656 0.82 CYP2A6 (0.39) ALDH1A1TSHRKDM4ERAB9AHDAC8
SCHEMBL1425978 0.65
SCHEMBL12161660 0.64 KDM4E (0.40) ALDH1A1TSHRKDM4ERAB9A
SCHEMBL823127 0.64 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ERAB9A
SCHEMBL4829142 0.63
SCHEMBL305827 0.63 CYP2A6 (0.38) ALDH1A1TSHRKDM4ERAB9A
SCHEMBL27995275 0.63 TRIM24 (0.45) CHAT

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-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed