SCHEMBL4672998

SCHEMBL4672998

CCN(CC)CCCN(CC)CC.CN(C)CCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
DNM1 Q05193 3/20 0.48
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL542772 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
Bromide SCHEMBL10492652 0.97 DNM1 (0.50) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
SCHEMBL14666299 0.97 ALDH1A1 (0.47) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
SCHEMBL9123900 0.94 ALDH1A1 (0.50) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
SCHEMBL19909604 0.94 ALDH1A1 (0.59) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
SCHEMBL18210639 0.92 ALDH1A1 (0.43) ALDH1A1TSHRDNM1SIGMAR1CYP1A2
SCHEMBL27995059 0.91 ALDH1A1 (0.65) ALDH1A1TSHRDNM1SIGMAR1SMN1; SMN2
SCHEMBL4187855 0.91 ALDH1A1 (0.65) ALDH1A1TSHRDNM1SIGMAR1SMN1; SMN2
SCHEMBL235041 0.87 SIGMAR1 (0.42) ALDH1A1SIGMAR1SLC2A1HTR2AHRH1
SCHEMBL18185238 0.86 CA12 (0.58) ALDH1A1TSHRDNM1SIGMAR1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080025893-A1 Method For The Removal Of Carbon Dioxide From Gas Flows With Low Carbon Dioxide Partial Pressures BASF AKTIENGESELLSCHAFT (DE) 2008-01-31 US claimed
EP-1725320-A1 METHOD FOR THE REMOVAL OF CARBON DIOXIDE FROM GAS FLOWS WITH LOW CARBON DIOXIDE PARTIAL PRESSURES BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP claimed
WO-2005087349-A1 METHOD FOR THE REMOVAL OF CARBON DIOXIDE FROM GAS FLOWS WITH LOW CARBON DIOXIDE PARTIAL PRESSURES BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed