SCHEMBL7710302

SCHEMBL7710302

C=CCN(CC=C)C(=O)CCCCCCCC=CCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TERT O14746 3/20 0.54
PTPN1 P18031 3/20 0.54
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
CYP1A2 P05177 2/20 0.54
MAPT P10636 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 2/20 0.54
HSD17B10 Q99714 2/20 0.54
FABP4 P15090 2/20 0.54
FAAH O00519 2/20 0.54
KMT2A Q03164 2/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL11545896 1.00 ALDH1A1 (0.59) ALDH1A1TERTPTPN1PPARGPPARD
SCHEMBL27875692 0.92 EPHX2 (0.56) ALDH1A1TERTPTPN1PPARGPPARD
SCHEMBL30763455 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL4019233 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL4243964 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL30763459 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL11564777 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL570411 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL4245319 0.92 ALDH1A1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL568962 0.90 ALDH1A1 (0.73) ALDH1A1PTPN1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6361801-B1 HAIR FIXING ALLYL POLYMER CALGON CORPORATION 2002-03-26 US disclosed
WO-2000005192-A2 ALKYL ALLYL AMINES AND LOW VOC HAIR STYLING COMPOSITIONS USING SAME CALGON CORPORATION (US) 2000-02-03 WO disclosed
US-4144256-A FATTY AMIDE SUBSTITUTED WITH ACETYLTHIO GROUP OR GROUPS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1979-03-13 US disclosed
US-4062841-A MICROBIOCIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-12-13 US disclosed