SCHEMBL18211012

SCHEMBL18211012

CC(C(=O)O)C(C)C(C)C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SLC7A5 Q01650 2/20 0.40
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
GABRR1 P24046 2/20 0.35
RNPEP Q9H4A4 1/20 0.35
CYP1A2 P05177 1/20 0.35
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 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
SCHEMBL1261744 0.92 TP53 (0.50) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL30751933 0.90 TP53 (0.42) TP53SLC7A5GABRR1RNPEPCYP1A2
Ammonia Solution, Strong SCHEMBL8858520 0.89 TP53 (0.47) TP53SLC7A5TSHRLMNAALDH1A1
Ammonia Solution, Strong SCHEMBL8858522 0.89 TP53 (0.47) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL2343605 0.87 TP53 (0.40) TP53SLC7A5ALDH1A1
SCHEMBL6694298 0.87 TP53 (0.40) TP53SLC7A5
SCHEMBL6690380 0.87 TP53 (0.40) TP53SLC7A5
SCHEMBL13635791 0.86 TP53 (0.44) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL1572816 0.86 TP53 (0.44) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL15834924 0.86 TP53 (0.44) TP53SLC7A5TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487465-B2 Process for the separation of mono- and di-carboxylic acid compounds RENNOVIA INC. (US) 2016-11-08 US disclosed