Cyclohexane

Cyclohexane

SCHEMBL6426374

C1CCCCC1.CC.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.69
ESR2 Q92731 3/20 0.69
MMP3 P08254 2/20 0.55
BCL2L1 Q07817 1/20 0.55
ABL1 P00519 2/20 0.52
ABCB1 P08183 2/20 0.52
BCR P11274 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B1 P14061 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
Cyclohexane SCHEMBL28486269 0.94 ESR1 (0.79) ESR1ESR2MMP3BCL2L1ABL1
Hydroquinone SCHEMBL28114106 0.83 HPGD (0.61) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL30826784 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL368272 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL4432983 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL6292004 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL15632 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL9090705 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
Hydroquinone SCHEMBL5712110 0.83 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
Hydroquinone SCHEMBL9879387 0.83 ALDH1A1 (0.73) ESR1ESR2MEN1KMT2ANPC1

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-6918984-B2 Photocurable adhesive compositions, reaction products of which have low halide ion content LOCTITE (R&D) LIMITED (IE) 2005-07-19 US disclosed
US-20040006150-A1 For use as an encapsulant, for underfill or attachment adhesives, capable of curing at wavelengths greater than 290 nm; may be applied wire bonds that electrically connect semiconductor device to substrate to maintain a fixed position HENKEL LOCTITE CORPORATION 2004-01-08 US disclosed