Benzophenone

Benzophenone

SCHEMBL11269386

C.CCN(CC)Cc1cc(C(=O)OCCCOC(C)=O)cc(Br)c1N.O=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 5/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SCN1A P35498 4/20 0.35
▸ SCN2A Q99250 4/20 0.35
▸ SCN3A Q9NY46 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
Benzophenone SCHEMBL11271776 0.98 TSHR (0.40) TSHRLMNAESR1PTGS2TDP1
Benzophenone SCHEMBL11274446 0.96 TSHR (0.42) TSHRLMNAESR1PTGS2CYP2D6
Benzophenone SCHEMBL11268574 0.88 TDP1 (0.41) LMNAESR1TDP1CYP2D6CNR2
Benzophenone SCHEMBL11266176 0.86 SMN1; SMN2 (0.37) TSHRLMNAESR1TDP1CYP2D6
Methane SCHEMBL11325303 0.86 MEN1 (0.40) TSHRLMNAESR1CYP2D6HRH3
Benzophenone SCHEMBL11255666 0.85 ABCB11 (0.36) TSHRLMNAESR1TDP1CYP2D6
SCHEMBL11269384 0.85 PTGS2 (0.46) TSHRLMNAPTGS2SMN1; SMN2HIF1A
SCHEMBL11186297 0.84 KDM4E (0.41) TSHRLMNAESR1PTGS2TDP1
Benzophenone SCHEMBL11265470 0.84 SCN1A (0.35) TSHRLMNAESR1TDP1CYP2D6
Benzophenone SCHEMBL11271133 0.84 SMN1; SMN2 (0.41) TSHRLMNAESR1CYP2D6CNR2

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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