SCHEMBL4957455

SCHEMBL4957455

CCCCCOC(=O)CC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
PPARA Q07869 1/20 0.46
MGLL Q99685 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
EGFR P00533 1/20 0.44
BCHE P06276 3/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL4202774 1.00 TDP1 (0.50) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL4964059 0.86 PAM (0.51) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL13631648 0.85 MEN1 (0.51) ALDH1A1LMNAPPARAMAPTKDM4E
SCHEMBL9419458 0.85 MEN1 (0.51) ALDH1A1LMNAPPARAMAPTKDM4E
SCHEMBL9419457 0.85 MEN1 (0.51) ALDH1A1LMNAPPARAMAPTKDM4E
SCHEMBL8945606 0.84 NAAA (0.50) TDP1LMNAPPARA
SCHEMBL9131007 0.81 TDP1 (0.53) TDP1TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL15704679 0.81 TDP1 (0.53) TDP1TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL7999920 0.81 ABCG2 (0.50) MAPK1ALDH1A1PPARAMAPT
SCHEMBL9857547 0.80 TSHR (0.47) TDP1TSHRTP53CYP3A4MAPK1

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-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed