SCHEMBL19202239

SCHEMBL19202239

CC(C)c1c(O)c(O)c(O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 5/20 0.43
▸ LDHB P07195 4/20 0.40
▸ ALB P02768 3/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 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
SCHEMBL29053723 0.77 KIF11 (0.41) LMNAGABRA1GABRB2HIF1AHPGD
SCHEMBL29648165 0.77 IDO1 (0.53) LMNAHIF1AHPGDTSHRCA1
SCHEMBL27740 0.77 IDO1 (0.53) LMNAHIF1AHPGDTSHRCA1
SCHEMBL24597848 0.76 KDM4E (0.44) LMNAGABRA1GABRB2HIF1AHPGD
SCHEMBL1070380 0.75 KIF11 (0.40) LMNAGABRA1GABRB2HPGDTSHR
SCHEMBL21686451 0.71 AHR (0.48) LMNAGABRA1GABRB2HTTAHR
SCHEMBL19202196 0.71 TRPM4 (0.50) LMNAGABRA1GABRB2CYP1A2HTT
SCHEMBL9656615 0.71 KDM4E (0.46) HIF1AKDM4EALDH1A1CYP2C9NQO1
SCHEMBL19730500 0.71 LDHA (0.37) LDHALDHBALBLMNAGABRA1
SCHEMBL30503415 0.71 PADI4 (0.55) LMNAHIF1AHPGDTSHRCA1

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-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 — — WO disclosed
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