SCHEMBL9778593

SCHEMBL9778593

CCCc1cc(CC)ccc1C=CC(=S)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ TP53 P04637 1/20 0.33
▸ TBXA2R P21731 3/20 0.33
▸ PTGER3 P43115 3/20 0.33
▸ PTGER2 P43116 3/20 0.33
▸ PTGDR Q13258 3/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ PTGFR P43088 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGIR P43119 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL9339850 0.88 SMN1; SMN2 (0.38) PTGS2PTGS1KMT2AMAPTALDH1A1
SCHEMBL9341673 0.84 SMN1; SMN2 (0.39) PTGS2PTGS1TP53TBXA2RPTGER3
SCHEMBL10585548 0.83 PTGER3 (0.37) PTGS2PTGS1TBXA2RPTGER3PTGER2
SCHEMBL9338556 0.82 SMN1; SMN2 (0.42) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL10499047 0.79 THRA (0.44) MEN1KMT2ACYP1A2
SCHEMBL10497881 0.79 THRA (0.47) MEN1KMT2ACYP1A2
SCHEMBL9337936 0.76 SLC16A3 (0.38) PTGS2PTGS1TBXA2RPTGER3PTGER2
SCHEMBL9338280 0.76 SMN1; SMN2 (0.42) PTGS2PTGS1TBXA2RPTGER3PTGER2
SCHEMBL9338260 0.75 SLC16A3 (0.40) CYP1A2SMN1; SMN2
SCHEMBL9338419 0.75 SMN1; SMN2 (0.36) PTGS2PTGS1KMT2AMAPTALDH1A1

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-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
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