SCHEMBL8561371

SCHEMBL8561371

C1=CC(Cc2ccccc2)=C([Hf+2]C2=C(Cc3ccccc3)C=CC2)C1.C=C(O)C(=O)[O-].C=C(O)C(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CALM1 P0DP23 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
SCHEMBL4576935 0.83 CALM1 (0.41) LMNACALM1MEN1KMT2A
SCHEMBL8562087 0.77
SCHEMBL8556220 0.77 CA2 (0.32) CA2CA4
SCHEMBL8561829 0.76 ALDH1A1 (0.30)
SCHEMBL8559990 0.74 CA2 (0.30) CA2CA4
SCHEMBL8562139 0.70
SCHEMBL4577148 0.70 CALM1 (0.31) CALM1
Benzoic Acid SCHEMBL7049468 0.70 CA2 (0.46) LMNACES2CES1ALPLPOLB
SCHEMBL8558019 0.69
SCHEMBL8558535 0.69

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
EP-0848015-A1 Catalyst for the production of functionalized polymers HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed