SCHEMBL29744559

SCHEMBL29744559

Oc1ccc(-c2cccs2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.64
▸ SNCA P37840 5/20 0.57
▸ KCNH2 Q12809 1/20 0.55
▸ APP P05067 3/20 0.52
▸ RPS6KB2 Q9UBS0 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ HSD17B1 P14061 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ ALOX5 P09917 2/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ QDPR P09417 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ PDK2 Q15119 1/20 0.44

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
SCHEMBL6068103 1.00 ERN1 (0.64) ERN1SNCAKCNH2APPRPS6KB2
SCHEMBL17049365 0.86 ERN1 (0.62) ERN1KCNH2RPS6KB2LTA4HHDAC3
SCHEMBL1065997 0.82 KCNH2 (0.70) ERN1KCNH2MAPTLTA4HHDAC3
SCHEMBL172744 0.82 ERN1 (0.58) ERN1KCNH2RPS6KB2HSD17B1HSD17B2
SCHEMBL7056060 0.82 ERN1 (0.58) ERN1KCNH2RPS6KB2MAPTHSD17B1
SCHEMBL6068010 0.81 ERN1 (0.56) ERN1SNCAKCNH2RPS6KB2MAPT
SCHEMBL7770514 0.80 ERN1 (0.55) ERN1KCNH2RPS6KB2MAPTALOX5
SCHEMBL16596412 0.78 ERN1 (0.50) ERN1KCNH2RPS6KB2MAPTLTA4H
SCHEMBL4628631 0.78 TNFRSF1A (0.60) ERN1MAPT
SCHEMBL22126665 0.78 HNF4A (0.59) ERN1KCNH2

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-110734882-B Phenanthrene efficient degradation strain and application thereof in environmental remediation 上海交通大学 2022-07-05 — — CN disclosed
Send feedback