SCHEMBL4354595

SCHEMBL4354595

C=C(C)C(=O)OCc1ccc2c(CO)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
ATM Q13315 1/20 0.36
AKR1B1 P15121 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.36
CYP3A4 P08684 1/20 0.35
CA2 P00918 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL4349486 0.90 MTNR1A (0.40) TACR1MTNR1AMTNR1BATMAKR1B1
SCHEMBL28900127 0.90 MTNR1A (0.38) TACR1MTNR1AMTNR1BATMAKR1B1
SCHEMBL22279217 0.88 TDP1 (0.48) TACR1MTNR1AMTNR1BATMAKR1B1
SCHEMBL4349485 0.87 TACR1 (0.41) TACR1ATMAKR1B1MEN1KMT2A
SCHEMBL14001878 0.84 CYP1A2 (0.41) TACR1CYP3A4CA2
SCHEMBL11963907 0.84 HSD17B1 (0.41) CA2
SCHEMBL13171565 0.83 CA2 (0.41) TACR1AKR1B1CYP3A4CA2TDP1
SCHEMBL14001874 0.83 TBXAS1 (0.37) CA2
SCHEMBL18844157 0.82 AKR1B1 (0.47) MTNR1AMTNR1BAKR1B1FFAR1TDP1
SCHEMBL4365395 0.81 TSHR (0.37) MTNR1AATMMEN1KMT2ATDP1

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-20090266583-A1 PHOTOSENSITIVE RESIN COMPOSITION, LAMINATE, METHOD OF PRODUCING METAL PLATED MATERIAL, METAL PLATED MATERIAL, METHOD OF PRODUCING METAL PATTERN MATERIAL, METAL PATTERN MATERIAL AND WIRING SUBSTRATE FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed