SCHEMBL8617802

SCHEMBL8617802

COc1ccc(C(O)C=Cc2ccc(N(C)c3ccc(C=CC(O)c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC2A1 P11166 1/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP1A2 P05177 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
F3 P13726 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL9448707 0.91 SLC2A1 (0.57) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL9448705 0.91 SLC2A1 (0.57) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL14839505 0.89 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL14839484 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL14839479 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL4632483 0.81 TRPA1 (0.59) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL4631951 0.81 TRPA1 (0.59) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL4631947 0.81 TRPA1 (0.59) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL4632481 0.81 TRPA1 (0.59) ALDH1A1CYP3A4MAPTCYP2C9ALOX15
SCHEMBL14839612 0.79 TRPV1 (0.51) ALDH1A1CYP3A4MAPTCYP2C9ALOX15

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
EP-0561562-B1 Heat-sensitive or pressure-sensitive recording material WIGGINS TEAPE GROUP LTD (GB) 1998-05-06 EP disclosed
US-5364830-A Heat or pressure sensitive elements THE WIGGINS TEAPE GROUP LIMITED (GB) 1994-11-15 US disclosed
EP-0561562-A1 Heat-sensitive or pressure-sensitive recording material The Wiggins Teape Group Limited (GB) 1993-09-22 EP disclosed