SCHEMBL10620574

SCHEMBL10620574

CCOC(=O)CCCOc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.62
CYSLTR1 Q9Y271 3/20 0.62
BRD4 O60885 1/20 0.56
PDK2 Q15119 2/20 0.56
PPARG P37231 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
P2RY12 Q9H244 1/20 0.56
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
FFAR1 O14842 1/20 0.52
LTA4H P09960 5/20 0.51
FAAH O00519 2/20 0.50
HDAC1 Q13547 1/20 0.50
PLA2G2A P14555 1/20 0.48

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
SCHEMBL7632059 0.96 CYSLTR2 (0.64) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL10900455 0.86 BRD4 (0.54) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL19510935 0.84 BRD4 (0.55) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL30350748 0.84 BRD4 (0.55) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL30350621 0.84 BRD4 (0.55) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL10080517 0.83 HTT (0.55) CYSLTR2CYSLTR1BRD4PDE3BPDE3A
SCHEMBL9132945 0.82 CYSLTR2 (0.54) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL767042 0.82 TDP1 (0.62) CYSLTR2CYSLTR1MAPTLTA4HFAAH
SCHEMBL21533500 0.81 BRD4 (0.64) CYSLTR2CYSLTR1BRD4PDK2PPARG
SCHEMBL3945405 0.81 HDAC1 (0.61) PPARGPDE3BPDE3AP2RY12HDAC1

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
US-4790961-A CHOLESTERYL ESTERS OF ANTHRACENES AS GELLING AGENTS GEORGETOWN UNIVERSITY (US) 1988-12-13 US disclosed
WO-1988000938-A1 THERMALLY REVERSIBLE ORGANIC SOLVENT GELS GEORGETOWN UNIVERSITY (US) 1988-02-11 WO disclosed