SCHEMBL11049835

SCHEMBL11049835

CCCCCc1ccc2c(c1)Cc1ccccc1[S+]2[O-]

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
DRD2 P14416 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
GPR3 P46089 1/20 0.39
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
S1PR1 P21453 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
SCHEMBL52642 0.99 HTR2A (0.53) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11049852 0.99 HTR2A (0.53) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL195468 0.99 HTR2A (0.53) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11053479 0.96 HTR2A (0.46) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL10791951 0.93 HTR2A (0.48) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL4379538 0.90 HTR2A (0.39) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL166962 0.84 CYP1A2 (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL2307403 0.81 TDP1 (0.36) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL1041549 0.78 TSHR (0.33)
SCHEMBL18123684 0.78 IDO1 (0.32)

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-0036075-B1 MIXTURES BASED ON AROMATIC-ALIPHATIC KETONES, THEIR USE AS PHOTOINITIATORS AND PHOTOPOLYMERISABLE SYSTEMS CONTAINING SUCH MIXTURES MERCK PATENT GmbH (DE) 1984-06-06 EP disclosed
US-4434035-A Mixtures of aromatic-aliphatic ketones as photoinitiators and photopolymerizable systems containing them Merck Patent Gesellschaft mit beschr/a/ nkter Haftung (DE) 1984-02-28 US disclosed
US-4390453-A DISCOLORATION INHIBITION; ULTRAVIOLET HARDENING OF ACRYLIC INKS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-06-28 US disclosed
EP-0036075-A1 Mixtures based on aromatic-aliphatic ketones, their use as photoinitiators and photopolymerisable systems containing such mixtures MERCK PATENT GmbH (DE) 1981-09-23 EP disclosed