SCHEMBL18045656

SCHEMBL18045656

CCCCC(O)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 10/20 0.49
TBXAS1 P24557 2/20 0.42
CYP19A1 P11511 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL28196440 0.93 TBXAS1 (0.47) CYP17A1TBXAS1
SCHEMBL11593809 0.93 TBXAS1 (0.47) CYP17A1TBXAS1
SCHEMBL28278661 0.93 TBXAS1 (0.47) CYP17A1TBXAS1
Thiocyanic Acid SCHEMBL28990409 0.91 CYP17A1 (0.43) CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4
SCHEMBL10438413 0.89 CYP17A1 (0.46) CYP17A1TBXAS1CYP19A1CYP3A4
SCHEMBL13949281 0.83 NFKB1 (0.39) CYP19A1CYP3A4
SCHEMBL4240437 0.81 CYP17A1 (0.51) CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4
SCHEMBL27983187 0.81 CYP17A1 (0.51) CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4
SCHEMBL11216145 0.81 CYP17A1 (0.46) CYP17A1TBXAS1CYP19A1
Acetic Acid SCHEMBL2938335 0.81 CYP17A1 (0.44) CYP17A1TBXAS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055142-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. 2018-03-01 US disclosed
EP-3268420-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS Honeywell International Inc. (US) 2018-01-17 EP disclosed
WO-2016149223-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. (US) 2016-09-22 WO disclosed
US-20160262490-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. 2016-09-15 US disclosed