Propane

Propane

SCHEMBL27957403

CCC.OC(O)(O)c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KCNN4 O15554 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL28702 0.88 CYP1A2 (0.48) CYP2C19CYP1A2CYP2C9KCNN4LMNA
Propane SCHEMBL9067218 0.81 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9KCNN4LMNA
Propane SCHEMBL27801693 0.79 CYP2C19 (0.43) CYP2C19CYP1A2CYP2C9KCNN4LMNA
Phenol SCHEMBL7161116 0.78 CA12 (0.61) CYP2C19CYP1A2CYP2C9KCNN4LMNA
SCHEMBL4433627 0.76 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4LMNA
SCHEMBL4307361 0.76 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9KCNN4LMNA
SCHEMBL246639 0.76 SMN1; SMN2 (0.52) CYP2C19CYP1A2CYP2C9KCNN4LMNA
SCHEMBL27267408 0.76 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4LMNA
SCHEMBL536039 0.76 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4LMNA
Hydrogen Peroxide SCHEMBL27765153 0.76 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4LMNA

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-103773216-A Composition used for SMC product and preparation method for SMC product BEIJING AUTOMOBILE GLASS FIBER REINFORCED PLASTIC CO LTD 2014-05-07 — — CN claimed
CN-103773216-A Composition used for SMC product and preparation method for SMC product BEIJING AUTOMOBILE GLASS FIBER REINFORCED PLASTIC CO LTD 2014-05-07 — — CN disclosed
Send feedback