SCHEMBL11293403

SCHEMBL11293403

CCCCOc1cccc(C(C)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX5 P09917 2/20 0.50
PTGES O14684 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYSLTR2 Q9NS75 3/20 0.49
CYSLTR1 Q9Y271 3/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1B Q00975 1/20 0.46

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
SCHEMBL11398112 0.86 LTA4H (0.61) LTA4H
SCHEMBL12251553 0.85 ALDH1A1 (0.51) LTA4HTSHRKDM4EALDH1A1LMNA
SCHEMBL12652785 0.85 KDM4E (0.67) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL25080975 0.83 CACNA1B (0.54) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL26696139 0.82 TSHR (0.53) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL14119424 0.82 TSHR (0.51) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL14066695 0.82 CACNA1B (0.53) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL16950919 0.82 TSHR (0.51) LTA4HTSHRKDM4EALOX5PTGES
SCHEMBL28259656 0.81 TSHR (0.51) LTA4HTSHRKDM4EALOX5PTGES
Hydrochloric Acid SCHEMBL28661273 0.81 TSHR (0.51) LTA4HTSHRKDM4EALOX5PTGES

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-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4275906-A Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1981-06-30 US disclosed