SCHEMBL3822893

SCHEMBL3822893

CCC(O)CCCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
DNM1 Q05193 3/20 0.48
GPR84 Q9NQS5 4/20 0.36
KDM4A O75164 6/20 0.36
KDM4C Q9H3R0 6/20 0.36
KDM5A P29375 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 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
SCHEMBL23394580 0.91 ALDH1A1 (0.41) ALDH1A1TSHRDNM1GPR84KDM4A
SCHEMBL17769386 0.85 ALDH1A1 (0.53) ALDH1A1TSHRDNM1KDM4AKDM4C
SCHEMBL17526618 0.84 DNM1 (0.58) ALDH1A1TSHRDNM1GPR84FFAR4
SCHEMBL17526542 0.84 DNM1 (0.58) ALDH1A1TSHRDNM1GPR84FFAR4
SCHEMBL30787207 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1
SCHEMBL30787428 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1
SCHEMBL14660129 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1
SCHEMBL30787307 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1
SCHEMBL30787116 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1
SCHEMBL23530055 0.83 GPR84 (0.46) TSHRGPR84FFAR4FFAR1

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
EP-2091990-A1 PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAMS BASF SE (DE) 2009-08-26 EP disclosed
WO-2008058913-A1 PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAMS BASF SE (DE) 2008-05-22 WO disclosed