Butane

Butane

SCHEMBL28526659

CCCC.OP(O)Oc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
CA4 P22748 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNA3 P22001 1/20 0.36
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 1/20 0.35

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
Propane SCHEMBL28909775 0.93 LTA4H (0.40) LTA4HCA4MAPTLMNAALOX12
Ethane SCHEMBL28540552 0.88 CA4 (0.43) LTA4HCA4MAPTLMNAALDH1A1
SCHEMBL126344 0.88 LTA4H (0.45) LTA4HCA4LMNAALDH1A1RECQL
SCHEMBL30275406 0.88 LTA4H (0.45) LTA4HCA4LMNAALDH1A1RECQL
Fluoromethane SCHEMBL27673510 0.86 CA4 (0.42) LTA4HCA4MAPTLMNAALDH1A1
SCHEMBL23754601 0.85 LTA4H (0.43) LTA4HCA4LMNAALDH1A1RECQL
Hydrochloric Acid SCHEMBL11619305 0.85 LTA4H (0.43) LTA4HCA4LMNAALDH1A1RECQL
SCHEMBL3257308 0.85 LTA4H (0.43) LTA4HCA4LMNAALDH1A1RECQL
SCHEMBL1160536 0.85 LTA4H (0.43) LTA4HCA4LMNAALDH1A1RECQL
SCHEMBL4585566 0.85 LTA4H (0.43) LTA4HCA4LMNAALDH1A1RECQL

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
CN-108350004-B Preparation method of phosphorus-containing cyanohydrin ester 拜耳作物科学股份公司 2021-03-12 CN disclosed