SCHEMBL9443603

SCHEMBL9443603

CC1(C)Oc2ccc(Br)cc2C(OC2=CC(=O)CC2)C1(C)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2 P10415 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
MAPK1 P28482 1/20 0.31
IDO1 P14902 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
SCHEMBL9443440 0.87 KCNE1 (0.35) SMN1; SMN2ALDH1A1KMT2ALMNAHTT
SCHEMBL9735702 0.86 PBRM1 (0.31) PBRM1BACE1IDO1
SCHEMBL9443653 0.85 TDP1 (0.35) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL9443581 0.85 CA12 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL9443541 0.85 AKR1B1 (0.32)
SCHEMBL9443561 0.84 ABCC9 (0.42) LMNA
SCHEMBL9443605 0.84 HTR1A (0.36) SMN1; SMN2ALDH1A1TSHR
SCHEMBL9443460 0.84 AKR1B1 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL9443570 0.84 ABCC9 (0.42) LMNA
SCHEMBL9443552 0.84 ABCC9 (0.42) LMNA

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-5232944-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0422450-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1991-04-17 EP disclosed