SCHEMBL10412697

SCHEMBL10412697

CCCC(=O)OC1CCCCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
NAAA Q02083 2/20 0.44
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP3 P08254 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6673706 0.98 POLB (0.46) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL16904245 0.93 ALDH1A1 (0.40) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL1777591 0.85 ALDH1A1 (0.48) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL7195274 0.84 NAAA (0.49) NAAA
SCHEMBL11884677 0.81 NAAA (0.58) NAAA
SCHEMBL4056985 0.80 ALDH1A1 (0.42) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL28392032 0.79 KDM4E (0.48) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL11093553 0.78 KDM4E (0.52) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL9813351 0.78 KDM4E (0.52) KDM4EHSD17B10POLBALDH1A1USP2
SCHEMBL11091255 0.78 KDM4E (0.52) KDM4EHSD17B10POLBALDH1A1USP2

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-4906654-A Cyclohept[b]indoleakanoic acids, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-03-06 US disclosed