SCHEMBL8735159

SCHEMBL8735159

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CNR2 P34972 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
PAM P19021 2/20 0.41
TET2 Q6N021 3/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL8885832 0.82 PAM (0.50) CYP1A2CNR2ALDH1A1HAO1PAM
SCHEMBL8885838 0.82 PAM (0.50) CYP1A2CNR2ALDH1A1HAO1PAM
SCHEMBL7941808 0.82 CYP1A2 (0.47) CYP1A2CNR2CYP3A4ALDH1A1HAO1
SCHEMBL1791773 0.81 CYP1A2 (0.50) CYP1A2CNR2CYP3A4ALDH1A1HAO1
SCHEMBL31353019 0.78 TSHR (0.50) CYP1A2CNR2CYP3A4ALDH1A1PAM
SCHEMBL17866584 0.77 CNR2 (0.45) CYP1A2CNR2ALDH1A1HAO1PAM
SCHEMBL17866583 0.77 CNR2 (0.45) CYP1A2CNR2ALDH1A1HAO1PAM
SCHEMBL17866582 0.77 CNR2 (0.45) CYP1A2CNR2ALDH1A1HAO1PAM
SCHEMBL4250754 0.75 CYP1A2 (0.50) CYP1A2CNR2CYP3A4ALDH1A1HAO1
SCHEMBL10707786 0.75 PAM (0.44) CYP1A2ALDH1A1HAO1PAMTET2

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
EP-0648229-B1 HYALURONIC ACID AND DERIVATIVES THEREOF IN INTERPENETRATING POLYMER NETWORKS (IPN) MURST ITALIAN (IT) 1998-05-06 EP disclosed
US-5644049-A Biomaterial comprising hyaluronic acid and derivatives thereof in interpenetrating polymer networks (IPN) M.U.R.S.T. ITALIAN MINISTRY FOR UNIVERSITITES AND SCIENTIFIC AND TECHNOLOGY RESEARCH (IT) 1997-07-01 US disclosed