Benzophenone

Benzophenone

SCHEMBL11271776

C.CCN(CC)Cc1cc(C(=O)OCCCCOC(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 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYP2D6 P10635 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SCN1A P35498 3/20 0.35
▸ SCN2A Q99250 3/20 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 SCHEMBL11269386 0.98 TSHR (0.40) TSHRLMNATDP1ESR1PTGS2
Benzophenone SCHEMBL11274446 0.96 TSHR (0.42) TSHRLMNAESR1PTGS2CYP2D6
Benzophenone SCHEMBL11268574 0.90 TDP1 (0.41) LMNATDP1ESR1CNR2CYP2D6
Benzophenone SCHEMBL11266176 0.86 SMN1; SMN2 (0.37) TSHRLMNATDP1ESR1CYP2D6
Benzophenone SCHEMBL11265470 0.86 SCN1A (0.35) TSHRLMNATDP1ESR1CNR2
Benzophenone SCHEMBL11258100 0.85 ABCB11 (0.36) TSHRLMNATDP1ESR1CNR2
Benzophenone SCHEMBL11257262 0.85 ABCB11 (0.36) TSHRLMNATDP1ESR1CNR2
SCHEMBL11271773 0.85 PTGS2 (0.46) TSHRLMNAPTGS2CYP3A4THPO
Methane SCHEMBL11292355 0.85 MEN1 (0.39) TSHRLMNAESR1CYP2D6CYP3A4
Benzophenone SCHEMBL11260403 0.84 ABCB11 (0.35) LMNATDP1ESR1CNR2CYP2D6

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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