SCHEMBL14300692

SCHEMBL14300692

O=C(O)C=CC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.38
▸ NOTUM Q6P988 2/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL14300690 1.00 FFAR4 (0.38) FFAR4NOTUMCYP3A4USP2HSD17B10
SCHEMBL14300689 0.88 FFAR4 (0.38) FFAR4NOTUMCYP3A4USP2HSD17B10
SCHEMBL14300691 0.88 FFAR4 (0.38) FFAR4NOTUMCYP3A4USP2HSD17B10
SCHEMBL1410213 0.83 ALDH1A1 (0.36) FFAR4USP2HSD17B10CYP2C9LMNA
SCHEMBL1410097 0.81 ADRB1 (0.37) FFAR4NOTUMADRB1POLBHIF1A
SCHEMBL1410217 0.78 FFAR4 (0.37) FFAR4NOTUMUSP2HIF1A
SCHEMBL1410260 0.73 FFAR4 (0.44) FFAR4NOTUMADRB1LMNA
SCHEMBL1410216 0.68 FFAR4 (0.37) FFAR4NOTUMUSP2HSD17B10HIF1A
SCHEMBL1410214 0.66 FFAR4 (0.37) FFAR4NOTUMHSD17B10POLBHIF1A
SCHEMBL1410258 0.66 FFAR4 (0.44) FFAR4NOTUMADRB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — EP disclosed
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