SCHEMBL8656993

SCHEMBL8656993

CCCCCCNc1ccc(CCCCC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.58
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55
TST Q16762 1/20 0.55

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
SCHEMBL21523345 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL16414121 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL22346236 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL26666796 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL28944291 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL28944302 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL28413635 1.00 SPHK1 (0.58) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL21523329 0.96 SPHK1 (0.54) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL28681651 0.96 SPHK1 (0.54) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL13093947 0.96 SPHK1 (0.54) SPHK1ESR1ADRA2AADORA3TACR2

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
US-5783710-A INK JET PRINTING; SPRAYING HOT MELT DROPLETS ON PLASTIC OR FIBER HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0593923-B1 Water-insoluble sulfur dyes, their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1995-08-09 EP disclosed
US-5374302-A Reacting a sulfur dyes with a a-halocarboxylic acid; recording ink CASSELLA AG (DE) 1994-12-20 US disclosed
EP-0593923-A1 Water-insoluble sulfur dyes, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-27 EP disclosed