SCHEMBL11842846

SCHEMBL11842846

CC(=O)SC(C)(CCc1ccc(-c2ccccc2)c(Cl)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.45
▸ MMP2 P08253 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ SLC13A5 Q86YT5 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ SHMT1 P34896 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL11827510 0.82 CSNK2A1 (0.51) CSNK2A1MMP2MMP3PTGES2RORC
SCHEMBL11827986 0.82 SLC13A5 (0.51) MMP2SLC13A5FFAR1
SCHEMBL11829438 0.78 P2RX3 (0.37) —
SCHEMBL11827800 0.76 THRB (0.37) —
SCHEMBL11802733 0.75 CSNK2A1 (0.55) CSNK2A1RORCHCAR2ADRB1ADRB3
SCHEMBL11836371 0.75 CSNK2A1 (0.46) CSNK2A1MMP2MMP3PTGES2RORC
SCHEMBL28553472 0.71 MTNR1A (0.51) CSNK2A1PTGES2RORCCD274SHMT1
SCHEMBL19567203 0.70 CSNK2A1 (0.64) CSNK2A1RORCHCAR2
SCHEMBL10952521 0.69 GGPS1 (0.41) PTGES2SHMT1
SCHEMBL20781840 0.69 CSNK2A1 (0.62) CSNK2A1MMP2MMP3PTGES2RORC

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
Send feedback