SCHEMBL7798757

SCHEMBL7798757

CCCCCCCC/C=C\CCCCCCCCn1ccnc1C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
POLB P06746 1/20 0.70
KMT2A Q03164 1/20 0.70
TLR8 Q9NR97 2/20 0.53
MGLL Q99685 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FAAH O00519 4/20 0.42
P2RX7 Q99572 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CES1 P23141 1/20 0.39
TK1 P04183 1/20 0.39

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
SCHEMBL7798764 1.00 ALDH1A1 (0.70) ALDH1A1POLBKMT2ATLR8MGLL
SCHEMBL2328687 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL363481 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL4068798 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL25270261 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL25267373 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL25240227 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL25267924 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL5287541 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL1137200 0.90 ALDH1A1 (0.85) ALDH1A1POLBKMT2ATLR8CA12

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-0824144-B1 Aqueous working liquid composition for wire saw NIPPEI TOYAMA CORP (JP) 2001-12-12 EP disclosed
US-5817711-A Aqueous working liquid composition for wire saw NIPPEI TOYAMA CORPORATION (JP) 1998-10-06 US disclosed
EP-0824144-A1 Aqueous working liquid composition for wire saw Nippei Toyama Corporation (JP) 1998-02-18 EP disclosed