SCHEMBL9454839

SCHEMBL9454839

C[n+]1ccc(C=Cc2ccc(CC(O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALPG P10696 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ GLA P06280 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.44
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL30612471 0.78 CHAT (0.76) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL132659 0.76 CHAT (0.55) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL12519753 0.76 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL10001242 0.76 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL12125135 0.72 CHAT (0.61) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL9770819 0.72 CHAT (0.61) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL31042224 0.71 ALDH1A1 (0.64) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL2375800 0.71 TAAR1 (0.46) —
SCHEMBL24146430 0.70 ALDH1A1 (0.52) ALDH1A1LMNAHDAC8
SCHEMBL12364525 0.70 CHAT (0.64) CHATALDH1A1RAB9AKDM4EHPGD

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-5206113-A Photocurable HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-27 — — US disclosed
EP-0415302-A2 Graft polymers with unsaturated side chains, light sensitive compositions containing them and coating composition with these polymers HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-06 — — EP disclosed
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