SCHEMBL16347302

SCHEMBL16347302

CCC(C)CC1(C(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16347929 0.88 ALDH1A1 (0.45) DDB1CRBNALDH1A1CTSLCTSB
SCHEMBL16347470 0.82 ALDH1A1 (0.43) ALDH1A1CTSLCTSBCTSS
SCHEMBL16344762 0.81 CTSL (0.45) DDB1CRBNALDH1A1CTSLCTSB
SCHEMBL7451242 0.80 MME (0.59)
SCHEMBL24299860 0.79 DDB1 (0.44) DDB1CRBNALDH1A1CTSLCTSB
SCHEMBL16344589 0.79 CETP (0.50) ALDH1A1
SCHEMBL16344715 0.79 MME (0.41) ALDH1A1CTSLCTSB
SCHEMBL23135480 0.79 ALDH1A1 (0.46) DDB1CRBNALDH1A1CTSLCTSB
SCHEMBL8396583 0.78 DDB1 (0.48) DDB1CRBNALDH1A1CTSLCTSB
SCHEMBL8396629 0.78 DDB1 (0.48) DDB1CRBNALDH1A1CTSLCTSB

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-3016938-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS Polymer Additives, Inc. (US) 2016-05-11 EP disclosed
WO-2015002746-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS FERRO CORPORATION (US) 2015-01-08 WO disclosed