SCHEMBL11489798

SCHEMBL11489798

CCN(CC)CC=C(C)c1ccc(-c2ccc(Br)cc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
JAK2 O60674 1/20 0.30
HSD17B1 P14061 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
AGTR1 P30556 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
SCHEMBL11489797 1.00 POLB (0.31) POLBLMNATSHRJAK2HSD17B1
SCHEMBL11540592 0.84 ALOX15 (0.32) HSD17B1
SCHEMBL11540590 0.84 ALOX15 (0.32) HSD17B1
SCHEMBL11488209 0.84 LSS (0.40) POLBKDM4EALDH1A1MAPTAGTR1
SCHEMBL11488207 0.84 LSS (0.40) POLBKDM4EALDH1A1MAPTAGTR1
SCHEMBL11492888 0.83 ALDH1A1 (0.41) LMNATSHRKDM4EALDH1A1MAPT
SCHEMBL11492883 0.83 ALDH1A1 (0.41) LMNATSHRKDM4EALDH1A1MAPT
SCHEMBL11489699 0.82 ALOX15 (0.31)
SCHEMBL11492616 0.78 MAPK1 (0.41) LMNATSHRALDH1A1MAPT
SCHEMBL11492612 0.78 MAPK1 (0.41) LMNATSHRALDH1A1MAPT

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-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed