SCHEMBL11613405

SCHEMBL11613405

CC=CCn1c(C(=O)OCC)cc(=O)c2cc(O)c(=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ GAA P10253 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL11613402 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL11621125 0.88 LMNA (0.54) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL11621562 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL11617163 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL11617162 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL11613651 0.85 KDM4E (0.46) KDM4EPOLBPKMHSD17B10
SCHEMBL11613646 0.85 KDM4E (0.46) KDM4EPOLBPKMHSD17B10
SCHEMBL11615933 0.83 RAB9A (0.43) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL11614682 0.83 TSHR (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL11617070 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4EGAA

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-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US disclosed
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