SCHEMBL10601909

SCHEMBL10601909

CCCCCCCCCc1c(CCCCCCC)ccc(C(=O)OCCCCCCC)c1C(=O)OCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ESR1 P03372 2/20 0.45
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL10429273 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL1983345 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL29055455 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5063801 0.97 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7064713 0.97 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4516539 0.97 TSHR (0.52) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL27563598 0.97 TSHR (0.52) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28319418 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL3677486 0.92 TSHR (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL150148 0.92 TSHR (0.54) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140296-B1 IMPROVED COATED POLYCARBONATE ARTICLES GENERAL ELECTRIC COMPANY (US) 1989-03-08 EP disclosed
US-4550058-A AUTOMOBILES, THERMOFORMABILITY, THERMOPLASTICITY, HEAT AND CHEMICAL RESISTANCE GENERAL ELECTRIC COMPANY (US) 1985-10-29 US disclosed