SCHEMBL28489502

SCHEMBL28489502

CC(=Cc1ccccc1)C(=O)OOC(=O)C(C)=Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DHODH Q02127 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
RECQL P46063 1/20 0.47
FBP1 P09467 1/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
F2 P00734 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
SCHEMBL27848450 0.90 AKR1C3 (0.60) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL17447210 0.90 AKR1C3 (0.60) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL29136592 0.87 AKR1C3 (0.56) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL27383706 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL12276505 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL464969 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL9875130 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL522434 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL27414529 0.86 AKR1C3 (0.64) AKR1C3MEN1KMT2AALDH1A1TSHR
SCHEMBL2344518 0.86 MEN1 (0.56) AKR1C3MEN1KMT2AALDH1A1TSHR

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
CN-111961323-A Degradable material suitable for low-temperature well and preparation method and application thereof 上海浦景化工技术股份有限公司 2020-11-20 CN disclosed
CN-111944290-A Degradable material suitable for high-temperature well and product and application thereof 上海浦景化工技术股份有限公司 2020-11-17 CN disclosed