SCHEMBL5451861

SCHEMBL5451861

C=C(C)C(=O)OC(C)COC(C)COCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PLA2G2C Q5R387 7/20 0.43
CES2 O00748 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
HTT P42858 1/20 0.40
TLR2 O60603 2/20 0.39
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL5449767 1.00 TSHR (0.51) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL11760421 1.00 TSHR (0.51) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL5450809 1.00 TSHR (0.51) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL4819070 0.99 TSHR (0.49) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL27660620 0.96 TSHR (0.56) TSHRPLA2G2CCES2USP2LPAR1
SCHEMBL15302991 0.96 TSHR (0.56) TSHRPLA2G2CCES2USP2LPAR1
SCHEMBL503413 0.94 TDP1 (0.44) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL11111869 0.94 TDP1 (0.44) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL887703 0.94 TDP1 (0.44) TSHRPLA2G2CCES2TDP1USP2
SCHEMBL7191777 0.90 TSHR (0.46) TSHRPLA2G2CCES2TDP1USP2

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-9417522-B2 Photosensitive resin composition and method for producing resist pattern JSR CORPORATION (JP) 2016-08-16 US disclosed
US-20150185604-A1 PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN JSR CORPORATION (JP) 2015-07-02 US disclosed
US-20070231747-A1 Radiation-sensitive negative resin composition JSR CORPORATION (JP) 2007-10-04 US disclosed