Sulindac

Sulindac

SCHEMBL7939976

CC1=C(CC(=O)[O-])c2cc(F)ccc2C1=Cc1ccc([S+](C)[O-])cc1.CC1=C(CC(=O)[O-])c2cc(F)ccc2C1=Cc1ccc([S+](C)[O-])cc1.[Ca+2]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Sulindac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 2/20 0.57
▸ PTGS1 known ✓ P23219 1/20 0.57
▸ PPARG P37231 10/20 0.64
▸ RXRA P19793 6/20 0.60
▸ CYP1A2 P05177 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ PMP22 Q01453 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ EDNRA P25101 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ EGFR P00533 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ OPRM1 P35372 1/20 0.57

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
Sulindac SCHEMBL7939975 1.00 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL7942573 0.98 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL7942577 0.98 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL2029754 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1
Sulindac Sulfoxide SCHEMBL11255653 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6881443 0.91 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL30989491 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL4202 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL6903607 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1
Sulindac SCHEMBL31324645 0.91 PPARG (0.78) PPARGRXRACYP1A2MAPTMAPK1

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-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 — — US disclosed
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