SCHEMBL9655871

SCHEMBL9655871

CCC1CCC(=O)N1.CCOC(=O)CCCCCCCCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMYD3 Q9H7B4 1/20 0.38
EPHX2 P34913 1/20 0.38
PDE4D Q08499 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
ABL1 P00519 4/20 0.37
RIN1 Q13671 4/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
DGKA P23743 1/20 0.37

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
SCHEMBL10372330 0.84 ALDH1A1 (0.40) TDP1ALDH1A1ALOX15USP2TSHR
SCHEMBL26508624 0.82 NLRP3 (0.47) DGKA
SCHEMBL26508641 0.82 NLRP3 (0.47) DGKA
SCHEMBL3745667 0.80 CYP1A2 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL1935586 0.78
SCHEMBL11917921 0.78
SCHEMBL6980753 0.78
SCHEMBL8624649 0.75 IRAK4 (0.40)
SCHEMBL495925 0.72 CYP1A2 (0.70) TDP1ALDH1A1ALOX15USP2TSHR
SCHEMBL6055406 0.72 CYP1A2 (0.70) TDP1ALDH1A1ALOX15USP2TSHR

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-5082663-A EXTERNAL ADHESIVE PREPARATION CONTAINING STEROIDS TEIKOKU SEIYAKY CO., LTD. (JP) 1992-01-21 US disclosed
EP-0280737-B1 STEROIDAL DRUG-CONTAINING PREPARATION FOR EXTERNAL USE TEIKOKU SEIYAKU CO., LTD. (JP) 1991-12-11 EP disclosed
EP-0280737-A1 STEROIDAL DRUG-CONTAINING PREPARATION FOR EXTERNAL USE TEIKOKU SEIYAKU CO., LTD. (JP) 1988-09-07 EP disclosed