SCHEMBL8624800

SCHEMBL8624800

O=C(Cl)CCCCCCCCCCCCCCCCCCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 5/20 0.59
TP53 P04637 1/20 0.50
FAAH O00519 2/20 0.39
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 3/20 0.31

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
SCHEMBL3338387 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL8868518 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL13779603 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL203285 1.00
SCHEMBL10866381 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL24243989 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL4970742 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL28597284 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL774984 1.00 TSHR (0.59) TSHRALDH1A1TP53FAAHLMNA
SCHEMBL77065 0.97

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-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed
US-3957832-A EPOXY RESINS PREPARED FROM POLYHYDROXY-CONTAINING COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1976-05-18 US disclosed