Cyclohexane

Cyclohexane

SCHEMBL29048825

C1CCCCC1.NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
ALOX15 P16050 1/20 0.64
NPC1 O15118 2/20 0.58
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
BCAT2 O15382 1/20 0.52
AKR1C3 P42330 1/20 0.50
METAP2 P50579 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 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
Phosphine SCHEMBL27772862 0.98 ALDH1A1 (0.61) ALDH1A1ALOX15NPC1MAPTKDM4E
SCHEMBL31390276 0.93 ALDH1A1 (0.74) ALDH1A1ALOX15NPC1MAPTKDM4E
Benzene SCHEMBL28074245 0.93 ALDH1A1 (0.74) ALDH1A1ALOX15NPC1MAPTKDM4E
SCHEMBL8771 0.93 ALDH1A1 (0.74) ALDH1A1ALOX15NPC1MAPTKDM4E
Benzene SCHEMBL27461159 0.93 ALDH1A1 (0.74) ALDH1A1ALOX15NPC1MAPTKDM4E
SCHEMBL7477977 0.93 ALDH1A1 (0.74) ALDH1A1ALOX15NPC1MAPTKDM4E
Ammonia Solution, Strong SCHEMBL4887278 0.91 ALDH1A1 (0.70) ALDH1A1ALOX15NPC1MAPTKDM4E
Ammonia Solution, Strong SCHEMBL4887275 0.91 ALDH1A1 (0.70) ALDH1A1ALOX15NPC1MAPTKDM4E
Selenium SCHEMBL29941301 0.91 ALDH1A1 (0.70) ALDH1A1ALOX15NPC1MAPTKDM4E
SCHEMBL28957788 0.91 ALDH1A1 (0.70) ALDH1A1ALOX15NPC1MAPTKDM4E

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
CN-118515957-A Polyhydroxyalkanoate granule, preparation method and application thereof 北京微构工场生物技术有限公司 2024-08-20 CN claimed
CN-113774505-B Polypropylene fiber, preparation method and sweeping brush 徐工集团工程机械股份有限公司 2023-08-01 CN claimed