SCHEMBL20512290

SCHEMBL20512290

CCCCCCCCC(CCCCCC)COC(=O)C(CCCC)CCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.52
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
CA1 P00915 2/20 0.47
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
CPB2 Q96IY4 1/20 0.40

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
SCHEMBL3754117 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3757070 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3762060 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3747389 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3745037 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL19105124 0.98 PRSS1 (0.50) CA2TSHRCYP3A4ATMTDP1
SCHEMBL20767414 0.98 PRSS1 (0.50) CA2TSHRCYP3A4ATMTDP1
SCHEMBL6414894 0.98 PRSS1 (0.50) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3800674 0.96 CA2 (0.49) CA2TSHRCYP3A4ATMTDP1
SCHEMBL3797834 0.95 PRSS1 (0.48) CA2TSHRCYP3A4ATMTDP1

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
EP-3381989-B1 OIL-BASED INKJET INK RISO KAGAKU CORP (JP) 2022-12-14 EP disclosed
US-11174406-B2 Oil-based inkjet ink RISO KAGAKU CORPORATION (JP) 2021-11-16 US disclosed
US-20190085194-A1 OIL-BASED INKJET INK RISO KAGAKU CORPORATION (JP) 2019-03-21 US disclosed
EP-3381989-A1 OIL-BASED INKJET INK Riso Kagaku Corporation (JP) 2018-10-03 EP disclosed