SCHEMBL7708787

SCHEMBL7708787

O=C1CCCCC1CC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA4 P22748 5/20 0.36
CA6 P23280 4/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
OPRK1 P41145 2/20 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
SCHEMBL5918112 0.75 CA1 (0.48) NPC1RAB9AKMT2ACA1CA2
SCHEMBL6363605 0.73 CA1 (0.33) NPC1RAB9AKMT2ACA1CA2
SCHEMBL758778 0.73 KMT2A (0.36) NPC1RAB9AKMT2AMEN1CA1
SCHEMBL9908408 0.70 MEN1 (0.33) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL7702898 0.69 CA1 (0.46) NPC1RAB9AKMT2ACA1CA2
SCHEMBL14577664 0.69 CA1 (0.42) NPC1RAB9AKMT2ACA1CA2
SCHEMBL3103357 0.67 CA1 (0.41) NPC1RAB9AKMT2ACA1CA2
SCHEMBL7708785 0.67 CA1 (0.33) KMT2ACA1CA2CA4ALDH1A1
SCHEMBL10052945 0.66 CA1 (0.44) NPC1RAB9AKMT2ACA1CA2
SCHEMBL5918173 0.66 CA1 (0.40) NPC1RAB9AKMT2ACA1CA2

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed