SCHEMBL316164

SCHEMBL316164

CCCCCCCCCCOC(=O)c1cc(C(=O)O)cc(CCCCCCCC)c1C(=O)OCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
PLA2G2A P14555 1/20 0.49
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
ESR1 P03372 4/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3851805 1.00 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL317668 1.00 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL7744521 1.00 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL17817820 1.00 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL7078310 0.95 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL587098 0.95 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL160866 0.95 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL17967705 0.95 TSHR (0.50) TSHRALDH1A1LMNAPLA2G2ATP53
SCHEMBL17627330 0.92 ESR1 (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL615768 0.92 ESR1 (0.56) TSHRALDH1A1LMNATP53CYP3A4

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-8093782-B1 Specialized, high performance, ultrasound transducer substrates and related method thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-10 US disclosed