SCHEMBL26322506

SCHEMBL26322506

CCC(C)(C)C(=O)Oc1cccc(C(=O)OCCS(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL825379 0.79 ESR1 (0.52) SERPINE1MEN1KMT2AALDH1A1ESR1
SCHEMBL26312810 0.79 SERPINE1 (0.47) SERPINE1MEN1KMT2ASMN1; SMN2ESR1
SCHEMBL26938191 0.77 ESR1 (0.36) SERPINE1MEN1KMT2AESR1ESR2
SCHEMBL26313010 0.77 ESR1 (0.36) SERPINE1MEN1KMT2AESR1ESR2
SCHEMBL12892540 0.77 NPC1 (0.57) KMT2ASMN1; SMN2NPC1POLBCYP2C9
SCHEMBL15216266 0.76 ESR1 (0.37) SERPINE1MEN1KMT2AESR1ESR2
SCHEMBL825441 0.75 KMT2A (0.50) MEN1KMT2AALDH1A1ESR1ESR2
SCHEMBL19845106 0.75 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNATSHRPOLB
SCHEMBL825546 0.75 ELANE (0.54) LMNANPC1POLBCYP2C9RAB9A
SCHEMBL25476176 0.74 L3MBTL1 (0.52) NPSR1TSHRNPC1CYP2C9RAB9A

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
US-11786160-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed