SCHEMBL8616112

SCHEMBL8616112

Fc1cc(Br)ccc1-c1ccc(-c2ccc(OCc3ccccc3)c(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
PTGER1 P34995 2/20 0.45
KDM1A O60341 2/20 0.44
HTT P42858 2/20 0.44
CCR5 P51681 6/20 0.43
SLC6A4 P31645 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
LRRK2 Q5S007 1/20 0.42
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8613851 0.94 PTGER1 (0.44) USP28USP25PTGER1KDM1AHTT
SCHEMBL8616572 0.91 KDM1A (0.47) USP28USP25PTGER1KDM1AHTT
SCHEMBL8614619 0.91 KDM1A (0.47) USP28USP25PTGER1KDM1AHTT
SCHEMBL8613429 0.91 USP28 (0.44) USP28USP25PTGER1KDM1AHTT
SCHEMBL8616654 0.89 USP28 (0.43) USP28USP25PTGER1KDM1AHTT
SCHEMBL8613905 0.87 ERN1 (0.47) USP28USP25PTGER1KDM1AHTT
SCHEMBL8616532 0.87 KDM1A (0.46) USP28USP25PTGER1KDM1AHTT
SCHEMBL8617807 0.87 KDM1A (0.46) USP28USP25PTGER1KDM1AHTT
SCHEMBL8640424 0.86 MAOB (0.43) USP28USP25PTGER1HTTCCR5
SCHEMBL8613452 0.86 FEN1 (0.43) PTGER1KDM1ARAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed