Cyclohexane

Cyclohexane

SCHEMBL7643198

C1CCCCC1.C=COCc1ccc(C(=O)OC)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
RAB9A P51151 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL927212 0.95 LOXL2 (0.56) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13984517 0.91 LOXL2 (0.51) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3021137 0.87 PTPN11 (0.49) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
Cyclohexane SCHEMBL7643203 0.83 RXRA (0.46) NPC1SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL121593 0.80 LOXL2 (0.58) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2607023 0.79 LOXL2 (0.66) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16867358 0.79 LOXL2 (0.53) LOXL2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3480024 0.77 KMT2A (0.42) HPGDMEN1KMT2A
SCHEMBL29387017 0.77 CA1 (0.70) LOXL2NPC1SMN1; SMN2ALDH1A1TSHR
Cyclohexane SCHEMBL1133519 0.77 CA1 (0.70) LOXL2NPC1SMN1; SMN2ALDH1A1TSHR

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-6458468-B1 VINYL ETHER OLIGOMER, PHOTOINITIATOR AND ACRYLATE AND/OR EPOXY COMPOUND; CHEMICAL RESISTANT PROTECTIVE COATINGS; STRESS RESISTANCE, NONCRACKING EASTMAN CHEMICAL COMPANY 2002-10-01 US claimed