SCHEMBL2301007

SCHEMBL2301007

C=CCc1cc[c]cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GABRA1 P14867 5/20 0.41
GABRB2 P47870 5/20 0.41
ALOX5 P09917 3/20 0.41
CNR2 P34972 2/20 0.41
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 2/20 0.41
PTGS1 P23219 2/20 0.40
AR P10275 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 2/20 0.37
ACHE P22303 2/20 0.37
ELANE P08246 1/20 0.36

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
SCHEMBL23728389 0.86 GABRA1 (0.44) ALDH1A1PPARGPPARDPPARAGABRA1
SCHEMBL456067 0.77 TAAR1 (0.37) ALDH1A1TSHRKDM4EMEN1GAA
SCHEMBL2536793 0.77 GABRA1 (0.36) GABRA1GABRB2POLB
SCHEMBL2480627 0.76 PDE4A (0.44) ALOX15TP53TSHRLMNAMAPT
SCHEMBL6203846 0.76 IDO1 (0.37)
SCHEMBL6436641 0.76 MCL1 (0.33) ALDH1A1
SCHEMBL9409469 0.76 TAAR1 (0.37) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL3544021 0.75 CYP3A4 (0.47) ALDH1A1PPARGPPARDPPARAGABRA1
SCHEMBL18705900 0.74 SLC6A4 (0.42) ALDH1A1POLBGAAMAPT
SCHEMBL8475524 0.74 HMGCR (0.43) ALDH1A1GABRA1GABRB2ALOX5CYP3A4

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-7989581-B2 Polyether from ring-opening of glycidyl ether with (C2-C5 alkylene oxide) monohydric alcohol DOW CORNING TORAY COMPANY, LTD. (JP) 2011-08-02 US disclosed
US-20100022732-A1 Polyether And Method For Producing The Same DOW CORNING TORAY COMPANY, LTD. (JP) 2010-01-28 US disclosed
EP-2022808-A1 POLYETHER AND METHOD FOR PRODUCING THE SAME Dow Corning Toray Co., Ltd. (JP) 2009-02-11 EP disclosed