SCHEMBL20526440

SCHEMBL20526440

C1=CCCC=CCC1.c1ccc(Cc2ccc([Pt]c3ccc(Cc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
LTA4H P09960 5/20 0.41
IDH1 O75874 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 4/20 0.38
SLC22A2 O15244 1/20 0.37
MAOB P27338 2/20 0.35
HTR2A P28223 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 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
SCHEMBL3848088 0.79 MAOA (0.33) MAOAALDH1A1
SCHEMBL8724048 0.79 MAOA (0.33) MAOAALDH1A1
Diphenylmethane SCHEMBL28155476 0.74 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL972712 0.74 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL8094422 0.74 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL7861888 0.71 CALM1 (0.75) CALM1LTA4HIDH1PLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL27978245 0.71 CALM1 (0.86) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL21051693 0.71 LTA4H (0.50) LTA4HIDH1PLA2G2AMAOACA1
Diphenylmethane SCHEMBL1303 0.71 CALM1 (1.00) CALM1LTA4HIDH1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL4361124 0.71 CALM1 (1.00) CALM1LTA4HIDH1PLA2G10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177503-A1 PHOTOACTIVATABLE MULTI-COMPONENT SYSTEMS FOR PRODUCING A FOAMED SILICONE COMPOSITION SONDERHOFF CHEMICALS GMBH (DE) 2019-06-13 US disclosed
EP-3383954-A1 PHOTOACTIVATABLE MULTI-COMPONENT SYSTEMS FOR PRODUCING A FOAMED SILICONE COMPOSITION Sonderhoff Chemicals GmbH (DE) 2018-10-10 EP disclosed