SCHEMBL9068672

SCHEMBL9068672

O=C1CCCCC1[C]1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 3/20 0.46
TLR4 O00206 1/20 0.45
HCAR1 Q9BXC0 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MCL1 Q07820 1/20 0.34
CA6 P23280 2/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL8602853 0.92 CA1 (0.48) KMT2ACA1CA2CA4TLR4
SCHEMBL30882060 0.72 SLC18A3 (0.50) KMT2ACA1TLR4MCL1MAPT
SCHEMBL15874614 0.72 SLC18A3 (0.50) KMT2ACA1TLR4MCL1MAPT
SCHEMBL15660493 0.72 SLC18A3 (0.50) KMT2ACA1TLR4MCL1MAPT
SCHEMBL4063122 0.72 SLC18A3 (0.50) KMT2ACA1TLR4MCL1MAPT
SCHEMBL28417815 0.72 SLC18A3 (0.50) KMT2ACA1TLR4MCL1MAPT
SCHEMBL7706356 0.70 KMT2A (0.56) KMT2ACA1CA2CA4TLR4
SCHEMBL6769544 0.70 KMT2A (0.56) KMT2ACA1CA2CA4TLR4
SCHEMBL6764761 0.70 KMT2A (0.56) KMT2ACA1CA2CA4TLR4
SCHEMBL8874668 0.70 TLR4 (0.55) KMT2ACA1CA2CA4TLR4

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
JP-8027102-A None JP disclosed
JP-H0827102-A SULFONTIUM CHLOIDE HAVING CROSS-LINKED CYCLIC ALKYL GROUP, OPTICAL ACID GENERATOR, PHOTOSESITIVE RESIN COMPOSITION CONTAINING THE SAME AND PATTERN FORMATION USING THE RESIN NEC CORP 1996-01-30 JP disclosed
JP-H00827102-A 0001-01-01 JP disclosed