SCHEMBL8516775

SCHEMBL8516775

CCCCC(C)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.42
POLB P06746 1/20 0.36
CA2 P00918 1/20 0.35
BDKRB2 P30411 1/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
RIPK1 Q13546 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC2A1 P11166 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL10050671 0.83 ALDH1A1 (0.46) HDAC2HDAC8HDAC6CYP2C9TSHR
SCHEMBL13123704 0.82 CES2 (0.41) MLYCDPOLBBDKRB2TSHRMEN1
SCHEMBL860020 0.80 RARB (0.49) TSHRMEN1KMT2A
SCHEMBL13522726 0.80 KMT2A (0.42) POLBCA2BDKRB2TSHRKMT2A
SCHEMBL5570012 0.80 ABCB11 (0.37) MLYCDPOLBCYP2C9
SCHEMBL12898224 0.79 TSHR (0.39) MLYCDRIPK1HDAC8HDAC6CYP3A4
SCHEMBL6685021 0.77 RIPK1 (0.40) POLBBDKRB2RIPK1SLC2A1
SCHEMBL9301236 0.77 BDKRB2 (0.53) MLYCDBDKRB2
SCHEMBL13299831 0.76 ALDH1A1 (0.50) POLBBDKRB2CYP3A4
SCHEMBL4413080 0.76 ALDH1A1 (0.46) MLYCDPOLBHDAC3HDAC1HDAC2

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
WO-1999036191-A1 ULTRAVIOLET AND/OR VISIBLE LIGHT CURABLE INKS WITH PHOTOINITIATORS FOR GAME BALLS, GOLF BALLS AND THE LIKE ACUSHNET COMPANY (US) 1999-07-22 WO disclosed