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Benzaldehyde

Benzaldehyde

SCHEMBL8075271

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nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ THRB P10828 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MDM2 Q00987 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Styrene SCHEMBL27683722 0.88 MEN1 (0.53) KMT2AMEN1THRBALDH1A1CTDSP1
Styrene SCHEMBL138624 0.88 MEN1 (0.53) KMT2AMEN1THRBALDH1A1CTDSP1
Benzaldehyde SCHEMBL28616809 0.86 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Styrene SCHEMBL11061984 0.85 MEN1 (0.50) KMT2AMEN1THRBALDH1A1CTDSP1
Styrene SCHEMBL8175732 0.85 MEN1 (0.50) KMT2AMEN1THRBALDH1A1CTDSP1
Styrene SCHEMBL1087426 0.85 MEN1 (0.50) KMT2AMEN1THRBALDH1A1CTDSP1
Biphenyl SCHEMBL17893027 0.84 THRB (0.53) KMT2AMEN1THRBALDH1A1MAPT
Acrylic Acid Ethyl Ester SCHEMBL7116609 0.84 THRB (0.53) KMT2AMEN1THRBALDH1A1MAPT
Acrylic Acid Ethyl Ester SCHEMBL27630706 0.84 TSHR (0.54) KMT2AMEN1THRBALDH1A1MAPT
Benzaldehyde SCHEMBL10873050 0.83 KMT2A (0.51) KMT2AMEN1THRBALDH1A1CYP2A6

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
US-6114367-A SUCH AS 3-(3-CYCLOPENTYLOXY-4-METHOXY)PHENYL-2-ISOXAZOLINE-5-HYDROXAMIC ACID; TREATING SEPSIS, SEPTIC SHOCK, INFLAMMATORY BOWEL DISEASE, TUBERCULOSIS, GRAFT VERSUS HOST DISEASE OR CACHEXIA ASSOCIATED WITH AIDS OR CANCER IN A MAMMAL PFIZER INC (US) 2000-09-05 — — US disclosed
US-5869511-A Isoxazoline compounds as inhibitors of TNF release PFIZER INC. (US) 1999-02-09 — — US disclosed