SCHEMBL11824406

SCHEMBL11824406

c1ccc(Oc2cccc(-c3cccc(-c4cccc(Oc5ccc(-c6ccccc6)cc5-c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.51
▸ FFAR4 Q5NUL3 6/20 0.47
▸ FFAR1 O14842 3/20 0.47
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ LTA4H P09960 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL11821442 0.98 GSTP1 (0.54) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11817781 0.98 GSTP1 (0.53) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11820969 0.97 GSTP1 (0.47) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11815013 0.95 GSTP1 (0.49) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11820028 0.95 GSTP1 (0.49) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11818921 0.95 GSTP1 (0.49) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11818436 0.93 GSTP1 (0.51) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11815327 0.93 GSTP1 (0.51) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL11843004 0.92 GSTP1 (0.50) GSTP1FFAR4FFAR1NCOA1NCOA3
SCHEMBL9211542 0.91 GSTP1 (0.56) GSTP1FFAR4FFAR1NCOA1NCOA3

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-3957666-A HYDRAULIC FLUIDS, HEAT TRANSFER FLUIDS MONSANTO COMPANY (US) 1976-05-18 — — US disclosed
Send feedback