SCHEMBL19861605

SCHEMBL19861605

CC(=O)NC(C)C(C)CCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
UTS2R Q9UKP6 6/20 0.31
USP2 O75604 1/20 0.31
PAOX Q6QHF9 1/20 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
SCHEMBL19861658 0.79 TRPV1 (0.38) TRPV1ALDH1A1TSHR
SCHEMBL21496759 0.79 TRPV1 (0.39) TRPV1ALDH1A1TSHRKDM4EMAPT
SCHEMBL13780653 0.79 ACACB (0.37) TRPV1ALDH1A1TSHR
SCHEMBL4401773 0.77 TRPV1 (0.44) TRPV1ALDH1A1TSHRKDM4EMAPT
SCHEMBL19861703 0.75 TRPV1 (0.35) TRPV1ALDH1A1KDM4ESMN1; SMN2UTS2R
SCHEMBL2736113 0.72 ALDH1A1 (0.38) TRPV1ALDH1A1KDM4EMAPTTHRB
SCHEMBL12506705 0.72 PAOX (0.38) TRPV1ALDH1A1TSHRUTS2RUSP2
SCHEMBL8145207 0.72 TRPV1 (0.42) TRPV1ALDH1A1TSHRKDM4EMAPT
SCHEMBL20404606 0.72 TRPV1 (0.42) TRPV1ALDH1A1TSHRKDM4EMAPT
SCHEMBL8134506 0.72 TRPV1 (0.42) TRPV1ALDH1A1TSHRKDM4EMAPT

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-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed