SCHEMBL14049670

SCHEMBL14049670

CC1(C)C(O)CCC2(C)C1CCC1(C)C3CCC4(C(=O)NCc5cccc(C(=O)NCc6ccc(O)c(C(=O)O)c6)c5)CCCC4C3CCC12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.42
▸ PTPN1 P18031 5/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTPN2 P17706 2/20 0.34
▸ RORC P51449 2/20 0.34
▸ ERCC1 P07992 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL14049687 0.95 TRPV1 (0.39) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049668 0.93 TRPV1 (0.40) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049662 0.90 PTPN1 (0.39) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049663 0.89 HSD17B10 (0.42) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049852 0.89 TRPV1 (0.41) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049842 0.89 TRPV1 (0.39) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049865 0.89 PTPN1 (0.40) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049980 0.88 TRPV1 (0.39) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049675 0.88 PTPN1 (0.40) TRPV1PTPN1NR1H4HSD17B10TDP1
SCHEMBL14049841 0.88 TRPV1 (0.39) TRPV1PTPN1NR1H4HSD17B10TDP1

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
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — WO disclosed
Send feedback