SCHEMBL606925

SCHEMBL606925

CC(C)(C)c1cc(CC(CCC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 6/20 0.46
LMNA P02545 3/20 0.46
GMNN O75496 1/20 0.45
GABBR2 O75899 1/20 0.45
TP53 P04637 1/20 0.45

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
Ethylene SCHEMBL10684745 0.97 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL106365 0.94 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL5572667 0.92 HMGCR (0.49) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL29228065 0.91 CYP1A2 (0.45) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL3296533 0.91 PPARG (0.50) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL5501791 0.91 CPA3 (0.54) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL28972471 0.90 HSPA5 (0.50) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL11619679 0.90 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL220369 0.90 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL134694 0.90 HMGCR (0.44) HMGCRALDH1A1KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023005682-A1 METHOD FOR ANALYZING TARGETED EXPOSURE GROUP OF ENVIRONMENTAL POLLUTANTS IN PLASMA, AND USE THEREOF 暨南大学 2023-02-02 WO claimed
CN-119320324-B Phenylpropionic acid derivative, preparation method thereof, antioxidant and application thereof 南通大学 2025-09-30 CN disclosed
CN-119320324-A Phenylpropionic acid derivative, preparation method thereof, antioxidant and application thereof 南通大学 2025-01-17 CN disclosed
CN-119320324-A Phenylpropionic acid derivative, preparation method thereof, antioxidant and application thereof 南通大学 2025-01-17 CN disclosed
CN-114901743-B Flame retardant and thermally stable polyetherimides 高新特殊工程塑料全球技术有限公司 2024-05-10 CN disclosed
CN-115185157-A Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2022-10-14 CN disclosed
EP-2505585-A1 BIS-BENZOXAZINONE COMPOUND Teijin Chemicals, Ltd. (JP) 2012-10-03 EP disclosed
US-8207239-B2 Radioactive ray-curable liquid resin composition for use in optical stereolithography, and optically shaped article produced by curing the composition DSM IP ASSETS B.V. (NL) 2012-06-26 US disclosed
US-20120041091-A1 Radioactive ray-curable liquid resin composition for use in optical stereolithography, and optically shaped article produced by curing the composition DSM IP ASSETS B.V. (NL) 2012-02-16 US disclosed