SCHEMBL9687817

SCHEMBL9687817

CCCC(=C(Cl)Cl)c1cccc(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL9687402 0.86 CES2 (0.50) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL9247753 0.77 SMN1; SMN2 (0.46) HPGDKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9686785 0.77 ESR1 (0.45) LMNAALDH1A1CYP3A4KDM4EHSD17B10
SCHEMBL364241 0.77 HPGD (0.56) HPGDKMT2ALMNAALDH1A1MAPT
SCHEMBL9687977 0.76 ALDH1A1 (0.48) HPGDKMT2ALMNAALDH1A1MAPT
SCHEMBL16953911 0.74 KMT2A (0.56) HPGDKMT2ALMNAALDH1A1MAPT
SCHEMBL9688568 0.74 ALDH1A1 (0.49) HPGDKMT2ALMNAALDH1A1MAPT
SCHEMBL9688878 0.74 ALDH1A1 (0.46) HPGDKMT2ALMNAALDH1A1MAPT
SCHEMBL28098734 0.74 ESR1 (0.56) HPGDLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5139133 0.73 HPGD (0.68) HPGDKMT2ALMNAALDH1A1MAPT

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-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed