SCHEMBL8939006

SCHEMBL8939006

CCOP(Oc1ccccc1)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
RAB9A P51151 1/20 0.30
CRHR2 Q13324 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA4 P22748 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL4458090 0.85 TSHR (0.38) TSHRTDP1ACHE
SCHEMBL4452080 0.85 TSHR (0.38) LTA4HTSHRNPC1RAB9ADRD2
SCHEMBL8939051 0.78 LTA4H (0.39) LTA4HTSHRTDP1CA4
SCHEMBL31413770 0.77 TSHR (0.38) TSHRTDP1ACHE
SCHEMBL7775590 0.77 TSHR (0.38) TSHRTDP1ACHE
SCHEMBL11704235 0.77 TSHR (0.38) LTA4HTSHRNPC1RAB9ADRD2
SCHEMBL11335046 0.77 DRD2 (0.37) TSHRNPC1HPGDRAB9ADRD2
SCHEMBL28276666 0.75 TSHR (0.32) TSHRTDP1ACHE
SCHEMBL14605205 0.73 TSHR (0.33) LTA4HTSHRTDP1CA4ACHE
SCHEMBL2947384 0.72 ALDH1A1 (0.33) LTA4HTSHR

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-5498741-A Alkyl aryl arylphosphonites, process for the preparation thereof and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed