SCHEMBL9247349

SCHEMBL9247349

C=CCOC(=O)CCCCC(=O)OCCCCC

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.83
DGKA P23743 1/20 0.61
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
NAAA Q02083 1/20 0.52
DNM1 Q05193 1/20 0.51
HTR2C P28335 1/20 0.50
PAM P19021 2/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.45
MAPT P10636 2/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 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
SCHEMBL8517577 0.95 TSHR (0.74) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL15998912 0.93 TSHR (0.77) TSHRDGKAPRSS1PRSS2PRSS3
Allyl Hexanoate SCHEMBL11653171 0.93 TSHR (0.83) TSHRDGKAPRSS1PRSS2PRSS3
Allyl Dodecanoate SCHEMBL4424289 0.93 TSHR (0.96) TSHRDGKAPRSS1PRSS2PRSS3
Allyl Hexanoate SCHEMBL21086 0.93 TSHR (0.96) TSHRDGKADNM1PAMMAPT
Allyl Hexanoate SCHEMBL1869217 0.93 TSHR (0.96) TSHRDGKADNM1PAMMAPT
Allyl Hexanoate SCHEMBL7635388 0.92 TSHR (0.76) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL440501 0.91 TSHR (1.00) TSHRDGKADNM1PAMMAPT
SCHEMBL439396 0.91 TSHR (1.00) TSHRDGKADNM1PAMMAPT
Allyl Octanoate SCHEMBL126629 0.91 TSHR (1.00) TSHRDGKADNM1PAMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243572-A LAMINATE OF SAFETY GLASS SAINT-GOBAIN INDUSTRIES (FR) 1981-01-06 US claimed
EP-0648249-A1 UV-ABSORBING POLYMER LATEX MONSANTO COMPANY (US) 1995-04-19 EP disclosed
WO-1994000524-A1 UV-ABSORBING POLYMER LATEX MONSANTO COMPANY (US) 1994-01-06 WO disclosed