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SCHEMBL587057

SCHEMBL587057

COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(F)(F)F)cc2C)C1.COC(=O)N1CCC(C(=O)O)CC1c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IDH2 P48735 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ FFAR2 O15552 1/20 0.36

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
SCHEMBL586480 0.96 TACR1 (0.42) TACR1MAPTTDP1ENPP2
SCHEMBL581119 0.96 NOTUM (0.43) TACR1NOTUMIDH2FFAR2
SCHEMBL580684 0.87 NOTUM (0.42) TACR1NOTUMMAPTIDH2FFAR2
SCHEMBL587743 0.87 MAPT (0.41) TACR1MAPTTDP1ENPP2
SCHEMBL580911 0.86 TACR1 (0.40) TACR1NOTUM
SCHEMBL586941 0.86 NOTUM (0.45) NOTUMMAPTTDP1IDH2
SCHEMBL586674 0.85 NOTUM (0.44) NOTUMMAPTTDP1
SCHEMBL581040 0.85 TACR1 (0.47) TACR1NOTUMIDH2
SCHEMBL582518 0.82 TACR1 (0.42) TACR1
SCHEMBL582517 0.82 TACR1 (0.42) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 — — EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed