SCHEMBL11509376

SCHEMBL11509376

Cc1cc(OC(=O)c2ccc(C)c(C)c2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 9/20 0.43
▸ S1PR1 P21453 7/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ S1PR4 O95977 3/20 0.37
▸ MGAM O43451 1/20 0.35
▸ AMY1A P0DUB6 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ S1PR2 O95136 1/20 0.34

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
SCHEMBL11507137 0.86 PTGS1 (0.37) S1PR3S1PR1KMT2AMAPTS1PR4
SCHEMBL11509267 0.86 KDM4E (0.40) KMT2AMAPTEGLN1
SCHEMBL11507587 0.85 POLB (0.39) S1PR3S1PR1MAPTS1PR4GAA
SCHEMBL11507933 0.85 MDM2 (0.39) S1PR3S1PR1KMT2AMAPTEGLN1
SCHEMBL11509749 0.84 MAPT (0.39) S1PR3KMT2AMAPTGAA
SCHEMBL11508260 0.84 S1PR1 (0.39) S1PR3S1PR1KMT2AMAPTGAA
SCHEMBL11509813 0.84 S1PR3 (0.37) S1PR3S1PR1MAPTS1PR4EGLN1
SCHEMBL11508451 0.84 GCGR (0.41) —
SCHEMBL11510067 0.83 S1PR4 (0.40) S1PR3S1PR1MAPTS1PR4EGLN1
SCHEMBL11509784 0.83 PTGS1 (0.38) EGLN1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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