SCHEMBL9693252

SCHEMBL9693252

C=CCC(=CC=C(C=C)C=Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PLIN1 O60240 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
CYP2C9 P11712 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL9467759 0.80 GRIK1 (0.57) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL6904913 0.76 HAO1 (0.39) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL19058802 0.74 MAPT (0.47) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL10492920 0.73 ALDH1A1 (0.59) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL11125910 0.73 ALDH1A1 (0.59) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL7064025 0.73 CYP3A4 (0.59) ALDH1A1RECQLCYP2C9PAMGRIK1
SCHEMBL1717110 0.73 CYP3A4 (0.59) ALDH1A1RECQLCYP2C9PAMGRIK1
SCHEMBL19872767 0.72 MAPT (0.44) ALDH1A1LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL18774307 0.72 MAPT (0.44) HAO1ALDH1A1LMNASMN1; SMN2HDAC3
Butadiene SCHEMBL3762435 0.70 MAPT (0.50) HAO1ALDH1A1LMNASMN1; SMN2HDAC3

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-0474589-A1 Orthophenolacetamides CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed