SCHEMBL9864474

SCHEMBL9864474

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
EGFR P00533 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 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
SCHEMBL9863558 0.86 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL603161 0.83 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1765980 0.78 MCL1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylonitrile SCHEMBL10354320 0.78 CES2 (0.38) CES2CES1EGFRALDH1A1MAPT
Styrene SCHEMBL4116570 0.74 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL8461984 0.73 CES1 (0.47) CES2CES1EGFRALDH1A1MAPT
SCHEMBL4426226 0.71 ALOX15 (0.32)
Styrene SCHEMBL6906397 0.71 ALDH1A1 (0.42) HDAC3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18933412 0.70 ATM (0.37) CES2CES1EGFRALDH1A1MAPT
SCHEMBL27705787 0.70 CES1 (0.47) CES2CES1EGFRALDH1A1MAPT

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