SCHEMBL7581997

SCHEMBL7581997

C=CCOC(=O)c1ccccc1NC(=O)C(=C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 4/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 9/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
LMNA P02545 6/20 0.50
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8384070 0.85 KDM4E (0.67) ALDH1A1HSD17B10TSHRKDM4ECYP2C19
SCHEMBL11302755 0.84 CYP3A4 (0.60) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL2460812 0.81 CYP3A4 (0.70) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL28839498 0.81 CYP3A4 (0.86) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
Methacrylic Acid SCHEMBL28073823 0.80 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL27588293 0.79 CYP3A4 (0.57) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL27420529 0.79 CYP3A4 (0.71) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL8957286 0.79 CYP3A4 (0.70) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
Toluene SCHEMBL28467206 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL15057998 0.78 CYP3A4 (0.86) CYP3A4ALDH1A1HSD17B10TSHRKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198220-A1 SUNBLOCKING POLYMERS AND THEIR NOVEL FORMULATIONS BIOPHYSICA, INC. (US) 2002-04-24 EP disclosed
WO-2001008647-A1 SUNBLOCKING POLYMERS AND THEIR NOVEL FORMULATIONS BIOPHYSICA, INC. (US) 2001-02-08 WO disclosed
US-6123928-A Sunblocking polymers and their novel formulations BIOPHYSICA, INC. (US) 2000-09-26 US disclosed
US-5487885-A Sunblocking polymers and their formulation BIOPHYSICA, INC. (US) 1996-01-30 US disclosed