SCHEMBL8613340

SCHEMBL8613340

Fc1cc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3F)cc2)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM1A O60341 5/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSTP1 P09211 2/20 0.39
AR P10275 1/20 0.39
PTGER1 P34995 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FEN1 P39748 1/20 0.37
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
CTSA P10619 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL8617922 0.95 KDM1A (0.40) ERN1RXRARXRBRXRGKDM1A
SCHEMBL8612028 0.94 FEN1 (0.40) ERN1RXRARXRBRXRGKDM1A
SCHEMBL8613452 0.93 FEN1 (0.43) ERN1RXRARXRBRXRGKDM1A
SCHEMBL8613507 0.90 ERN1 (0.46) ERN1RXRARXRBRXRGKDM1A
SCHEMBL8613441 0.88 KDM1A (0.40) RXRARXRBRXRGKDM1ARAB9A
SCHEMBL8616654 0.88 USP28 (0.43) RXRARXRBRXRGKDM1ARAB9A
SCHEMBL8611236 0.87 ERN1 (0.51) ERN1KDM1ARAB9ASMN1; SMN2AR
SCHEMBL8613429 0.87 USP28 (0.44) RXRARXRBRXRGKDM1ARAB9A
SCHEMBL8613734 0.86 FEN1 (0.41) ERN1RXRARXRBRXRGKDM1A
SCHEMBL8612887 0.85 ERN1 (0.52) ERN1KDM1ARAB9ASMN1; SMN2AR

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