SCHEMBL5079431

SCHEMBL5079431

CC1CCC(NCCO)CC1NCCO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
KDM4E B2RXH2 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
FUCA1 P04066 9/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL24359578 0.90 KDM1A (0.33) KDM1A
SCHEMBL23448426 0.90 KDM1A (0.33) KDM1A
SCHEMBL29238078 0.89 FUCA1 (0.38) KDM1AKDM4EFUCA1S1PR4S1PR1
SCHEMBL14609099 0.80 EPHX1 (0.32) KDM4EFUCA1
SCHEMBL24192796 0.79 KDM4E (0.33) KDM4EFUCA1
SCHEMBL9812318 0.79 KDM1A (0.33) KDM1ASPHK1S1PR4S1PR1S1PR3
SCHEMBL20240511 0.78 SQLE (0.35) FUCA1S1PR4S1PR1S1PR3
SCHEMBL19984888 0.77 JAK1 (0.31)
SCHEMBL24192795 0.74 KDM1A (0.31) KDM1ASPHK1
SCHEMBL24192794 0.74 KDM4E (0.30) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725600-B2 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-03 EP claimed
EP-1725600-B1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES INC (US) 2008-09-03 EP claimed
US-20230137116-A1 COMPOSITIONS AND THEIR APPLICATIONS BASF SE (DE) 2023-05-04 US disclosed
US-20230137116-A1 COMPOSITIONS AND THEIR APPLICATIONS BASF SE (DE) 2023-05-04 US disclosed
WO-2023061827-A1 COMPOSITIONS COMPRISING POLYMERS, POLYMERS, AND THEIR USE BASF SE (DE) 2023-04-20 WO disclosed
WO-2022008416-A1 COMPOSITIONS AND THEIR APPLICATIONS BASF SE (DE) 2022-01-13 WO disclosed