SCHEMBL31346266

SCHEMBL31346266

C=C(CC=C(C)C)CCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
AKR1B1 P15121 1/20 0.34
TSHR P16473 5/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL31346265 0.98 CES2 (0.38) CES2CES1TSHRGPR84PPARG
SCHEMBL31346264 0.93 TSHR (0.35) CES2CES1TSHRALDH1A1CYP19A1
SCHEMBL1982384 0.84 TSHR (0.38) TSHRALDH1A1MEN1ALOX15KMT2A
SCHEMBL9332337 0.77 TSHR (0.42) CES2CES1AKR1B1TSHRGPR84
SCHEMBL28838394 0.77 CES1 (0.32) CES2CES1
SCHEMBL14481833 0.76 TSHR (0.46) CES2CES1TSHRGPR84PPARG
SCHEMBL11208887 0.76 TSHR (0.46) CES2CES1TSHRGPR84PPARG
SCHEMBL1115231 0.76 TSHR (0.46) CES2CES1TSHRGPR84PPARG
SCHEMBL3126146 0.76 TSHR (0.46) CES2CES1TSHRGPR84PPARG
SCHEMBL14481465 0.76 TSHR (0.46) CES2CES1TSHRGPR84PPARG

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
US-12281270-B2 Sustainable turbine and diesel fuels from isoprene and α olefins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2025-04-22 US disclosed
US-20240409833-A1 Sustainable Turbine and Diesel Fuels from Isoprene and Alpha Olefins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2024-12-12 US disclosed