SCHEMBL4349486

SCHEMBL4349486

C=C(C)C(=O)OCc1ccc2cccc(CO)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.40
TACR1 P25103 1/20 0.40
MTNR1B P49286 9/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NQO2 P16083 1/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4354595 0.90 TACR1 (0.40) MTNR1ATACR1MTNR1BATMMEN1
SCHEMBL29503741 0.87 CYP1A2 (0.50) TACR1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL13609729 0.87 CYP1A2 (0.50) TACR1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL6554766 0.82 NR4A1 (0.43) MTNR1ACYP1A2CYP2D6CYP2C19
SCHEMBL4365395 0.81 TSHR (0.37) MTNR1AATMMEN1KMT2A
SCHEMBL28900127 0.80 MTNR1A (0.38) MTNR1ATACR1MTNR1BATMMEN1
SCHEMBL1130685 0.79 KMT2A (0.50) MTNR1ATACR1ATMMEN1KMT2A
SCHEMBL2619047 0.79 TACR1 (0.47) TACR1CYP1A2
SCHEMBL29503697 0.79 TACR1 (0.47) TACR1CYP1A2
SCHEMBL1323726 0.79 CA2 (0.40) TACR1CYP1A2NPC1

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