SCHEMBL21891716

SCHEMBL21891716

CC(C)N(C(=O)c1ccccc1CC(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.53
AKR1B1 P15121 1/20 0.47
P2RX4 Q99571 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 3/20 0.42
CXCL8 P10145 3/20 0.41
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
UGT1A6 P19224 1/20 0.39
UGT1A1 P22309 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL18301798 0.81 BCAT2 (0.57) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL17058912 0.79 BCAT2 (0.54) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL21891698 0.77 ALDH1A1 (0.56) P2RX4TSHR
SCHEMBL6555816 0.74 BCAT2 (0.62) BCAT2AKR1B1TDP1PTGS2CXCL8
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.74 AKR1B1 (0.61) BCAT2AKR1B1TSHRTDP1
2-Carboxybenzeneacetic Acid SCHEMBL1891118 0.74 AKR1B1 (0.61) BCAT2AKR1B1TSHRTDP1
SCHEMBL1162462 0.74 ALDH1A1 (0.60) BCAT2AKR1B1TSHRKMT2A
SCHEMBL21891718 0.73 BCAT2 (0.49) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL21891520 0.73 HPGD (0.62) BCAT2TSHRMEN1KMT2A
SCHEMBL8011594 0.73 SLC6A2 (0.49) P2RX4TSHRPTGS1

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-2020054226-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2020-03-19 WO disclosed