Cyclohexane

Cyclohexane

SCHEMBL7643203

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.46
RXRB P28702 10/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRG P48443 5/20 0.46
ALDH1A1 P00352 2/20 0.46
NR4A2 P43354 4/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL7129810 0.92 ALDH1A1 (0.50) RXRARXRBNPC1RAB9APOLB
SCHEMBL7643725 0.84 KMT2A (0.45) RXRARXRBNPC1RAB9APOLB
Cyclohexane SCHEMBL7643198 0.83 LOXL2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL927212 0.77 LOXL2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5116479 0.75 ALDH1A1 (0.51) RXRARXRBNPC1RAB9APOLB
Terephthalic Acid SCHEMBL6906820 0.75 ALDH1A1 (0.50) RXRARXRBSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL566413 0.75 NPC1 (0.62) RXRARXRBNPC1RAB9APOLB
Terephthalic Acid SCHEMBL29170961 0.74 TSHR (0.71) SMN1; SMN2ALDH1A1
Terephthalic Acid SCHEMBL246842 0.74 TSHR (0.71) SMN1; SMN2ALDH1A1
SCHEMBL5479582 0.74 IDO1 (0.35) SMN1; SMN2ALDH1A1

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