SCHEMBL18614656

SCHEMBL18614656

CCCCCC=C1OC(=O)C1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
ABHD16A O95870 2/20 0.40
PPARG P37231 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.34
CYP1A2 P05177 3/20 0.33
PRKD3 O94806 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
PRKCA P17252 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCD Q05655 2/20 0.33
PRKD1 Q15139 2/20 0.33
MEN1 O00255 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
SCHEMBL2040406 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL18614676 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL18614665 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL2040408 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL18614686 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL18614711 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL18614664 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL20561501 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL20561502 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2
SCHEMBL2022983 0.98 TYR (0.43) TYRABHD16APPARGNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334571-A1 WATER REPELLENT COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
EP-3347421-A1 WATER REPELLENT COMBINATIONS Janssen Pharmaceutica N.V. (BE) 2018-07-18 EP disclosed
WO-2017042120-A1 WATER REPELLENT COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-03-16 WO disclosed