SCHEMBL9816588

SCHEMBL9816588

NCCCCS(=O)(=O)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PMP22 Q01453 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 4/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKB1 P19838 2/20 0.35
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33

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
SCHEMBL9242892 0.98 APP (0.42) APPLMNATSHRALDH1A1PMP22
SCHEMBL8413661 0.92 APP (0.52) APPLMNATSHRALDH1A1PMP22
Hydrochloric Acid SCHEMBL9326378 0.90 APP (0.50) APPLMNATSHRALDH1A1PMP22
SCHEMBL9248159 0.89 CA2 (0.48) TSHRALDH1A1CA2DNM1MEN1
SCHEMBL11139493 0.87 APEX1 (0.36) CA2CA12CA1CA3CA4
SCHEMBL28957411 0.84 CA2 (0.37) CA2
SCHEMBL11883063 0.84 DNM1 (0.50) APPLMNATSHRALDH1A1PMP22
SCHEMBL17495626 0.84 DNM1 (0.50) APPLMNATSHRALDH1A1PMP22
SCHEMBL5699217 0.81
SCHEMBL11687102 0.81 APEX1 (0.36) CA2CA12CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0174909-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0141776-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed