SCHEMBL8401697

SCHEMBL8401697

CC(C(=O)O)c1ccc(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
RARA P10276 1/20 0.48
PTGS2 P35354 6/20 0.43
PTGS1 P23219 5/20 0.43
PTPN11 Q06124 1/20 0.43
AKR1C3 P42330 9/20 0.40
AKR1C2 P52895 9/20 0.40
TSHR P16473 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
APP P05067 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8397573 0.83 RARA (0.54) RARBRARGRARAPTGS2PTGS1
SCHEMBL8397554 0.81 RARB (0.45) RARBRARGRARAPTGS2PTPN11
SCHEMBL8399071 0.80 GLA (0.40) RARBRARGRARAPTGS2PTGS1
SCHEMBL7933778 0.80 RARB (0.45) RARBRARGRARAPTGS1PTPN11
SCHEMBL11457396 0.78 PTGS2 (0.47) RARBPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL8400760 0.78 TSHR (0.44) RARBRARGRARAPTGS2PTGS1
SCHEMBL8401328 0.77 GLRA3 (0.36) RARBRARGRARAPTGS2PTGS1
SCHEMBL6143601 0.75 RXRA (0.64) RARBRARGRARAPTGS2PTGS1
SCHEMBL3809004 0.75 RARB (0.74) RARBRARGRARAPTGS2PTPN11
SCHEMBL6143604 0.75 RXRA (0.64) RARBRARGRARAPTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed