SCHEMBL9863558

SCHEMBL9863558

C=C(CC(C)(C)C)C(=O)O.CC(=CC=CC#N)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TET2 Q6N021 1/20 0.32
EGFR P00533 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CTSL P07711 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL9864474 0.86 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18171946 0.81 CYP3A4 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL603161 0.80 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylonitrile SCHEMBL10454655 0.80 TET2 (0.35) TET2EGFRCTSSCTSKPOLB
SCHEMBL10647412 0.74 MCL1 (0.46) EGFRSMN1; SMN2LMNAMAPTHTT
Styrene SCHEMBL10454759 0.74 ALDH1A1 (0.40) TET2EGFRSMN1; SMN2MAPTNPSR1
SCHEMBL5999282 0.70 LMNA (0.46) POLBSMN1; SMN2LMNAMAPTHTT
Styrene SCHEMBL19347057 0.70 ALDH1A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Styrene SCHEMBL9472618 0.68 ALDH1A1 (0.42) TET2EGFRSMN1; SMN2MAPTNPSR1
SCHEMBL1765980 0.68 MCL1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5034458-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed